AG003IWC

21961-30-8 | 3-Amino-5-chlorobenzoic acid

AG003IWC

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CAS Number	21961-30-8
Catalog Number	AG003IWC(AGN-PC-0NDZEF)
Chemical Name	3-Amino-5-chlorobenzoic acid
IUPAC Name	3-amino-5-chlorobenzoic acid
InChI	InChI=1S/C7H6ClNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChI Key	ATFAXWNNFCBZNY-UHFFFAOYSA-N
MDL Number	MFCD02183894
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	NC1=CC(Cl)=CC(=C1)C(O)=O
Synonyms	3-AMINO-5-CHLOROBENZOIC ACID, 21961-30-8, 3-amino-5-chlorobenzoicacid, 3-amino-5-chloro-benzoic Acid, BENZOIC ACID, 3-AMINO-5-CHLORO-, PubChem10455, ACMC-1CC08, 3-Amino-5-chloro benzoic acid, SCHEMBL2537405, CTK4E8054, KS-00000CJY, DTXSID40450803, ATFAXWNNFCBZNY-UHFFFAOYSA-N, 3-azanyl-5-chloranyl-benzoic acid, ANW-24641, CL8065, FC1091, MFCD02183894, STL220795, ZINC14985992, AKOS012322565, AB11542, AM83999, AS04635, CS-W021836, GS-6023, MCULE-6853732114, TRA0039372, AJ-66494, AK-45965, LS-35697, SY007084, AB0033952, DB-011133, ST2404886, TX-011062, 4CH-017808, A4704, BB 0261325, FT-0081485, FT-0651159, ST45244650, X8029, B-7932, MFCD02183894 (97+%), 961A308, A815786, C7H6ClNO2, CID10986726,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.58g/mol
Monoisotopic Mass	171.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number