AG0015L1

121689-22-3 | 8-Nitroquinoline-4-carboxylic acid

AG0015L1

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CAS Number	121689-22-3
Catalog Number	AG0015L1(AGN-PC-0WCXS8)
Chemical Name	8-Nitroquinoline-4-carboxylic acid
IUPAC Name	8-nitroquinoline-4-carboxylic acid
InChI	InChI=1S/C10H6N2O4/c13-10(14)7-4-5-11-9-6(7)2-1-3-8(9)12(15)16/h1-5H,(H,13,14)
InChI Key	ORRCVWMWVBLLBR-UHFFFAOYSA-N
MDL Number	MFCD00234595
Molecular Formula	C10H6N2O4
Molecular Weight	218.1656
SMILES	[N+](=O)([O-])C=1C=CC=C2C(=CC=NC12)C(=O)O
Synonyms	8-nitroquinoline-4-carboxylic acid, 121689-22-3, 4-Carboxy-8-nitroquinoline, SCHEMBL7820257, ORRCVWMWVBLLBR-UHFFFAOYSA-N, 8-nitro-quinoline-4-carboxylic acid, MFCD00234595, ZINC26439129, 4-Quinolinecarboxylic acid, 8-nitro-, AKOS002854913, AK174476, AS-40002,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.033g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.168g/mol
Monoisotopic Mass	218.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	96A^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-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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