AG00CMNQ

318685-41-5 | 7,8-Difluoroquinoline-3-carboxylic acid

AG00CMNQ

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CAS Number	318685-41-5
Catalog Number	AG00CMNQ(AGN-PC-0WAMD1)
Chemical Name	7,8-Difluoroquinoline-3-carboxylic acid
IUPAC Name	7,8-difluoroquinoline-3-carboxylic acid
InChI	InChI=1S/C10H5F2NO2/c11-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)12/h1-4H,(H,14,15)
InChI Key	AMKQPUGRVXSJNI-UHFFFAOYSA-N
MDL Number	MFCD24483950
Molecular Formula	C10H5F2NO2
Molecular Weight	209.1490
SMILES	O=C(C1=CC2=CC=C(F)C(F)=C2N=C1)O
Synonyms	7,8-difluoroquinoline-3-carboxylic acid, 318685-41-5, AK174502, SCHEMBL2675814, MFCD24483950, AKOS025396510, ZINC143113096, 7,8-difluoroquinoline-3-carboxylicacid, DS-8731, CS-0060360, 2-Benzyl-6-oxa-2,9-diazaspiro[4.5]decane,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.029g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.152g/mol
Monoisotopic Mass	209.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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