AG0070A5

42959-39-7 | 5-Amino-2-chloronicotinic acid

AG0070A5

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CAS Number	42959-39-7
Catalog Number	AG0070A5(AGN-PC-03JZQZ)
Chemical Name	5-Amino-2-chloronicotinic acid
IUPAC Name	5-amino-2-chloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H5ClN2O2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,8H2,(H,10,11)
InChI Key	ZZLGRVWAJFJQQK-UHFFFAOYSA-N
MDL Number	MFCD06658302
Molecular Formula	C6H5ClN2O2
Molecular Weight	172.5691
SMILES	O=C(O)C1=C(Cl)N=CC(N)=C1
Synonyms	5-Amino-2-chloronicotinic acid, 42959-39-7, 5-amino-2-chloropyridine-3-carboxylic acid, 5-AMINO-2-CHLORO-NICOTINIC ACID, CTK1D5160, DTXSID80622305, KS-000003RX, 5940AB, MFCD06658302, SBB052884, ZINC20357756, AKOS006291813, PB10371, RP23492, AJ-77167, SC-29704, TS-02355, 5-amino-2-chloro-3-pyridinecarboxylic acid, DB-070378, 3-Pyridinecarboxylicacid, 5-amino-2-chloro-, CS-0050688, FT-0694757, Q-1386, 5-azanyl-2-chloranyl-pyridine-3-carboxylic acid, A826085, C6H5ClN2O2,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.004g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.568g/mol
Monoisotopic Mass	172.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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