Research chemical
CAS Number: 100948-85-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
12535367
Exact Mass
215.993784
InChIKey
QZHMAYCAKJYUMK-UHFFFAOYSA-N
SMILES String
Nc1cc(Cl)c([N+](=O)[O-])cc1C(=O)O
No physical property values available.
XLogP
1.8
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-Amino-4-chloro-5-nitrobenzoic acid is identified by CAS 100948-85-4, with molecular formula C7H5ClN2O4, molecular weight 216.58, InChIKey QZHMAYCAKJYUMK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
14
H-bond acceptors
6
H-bond donors
3
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
106.46 Ų
Computed LogP
1.53
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-Amino-4-chloro-5-nitrobenzoic acid (CAS 100948-85-4) is listed in the Advanced Chemicals portfolio, with molecular formula C7H5ClN2O4 and molecular weight 216. 58 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.