AG000N47

1250921-20-0 | Benzoic acid, 3-fluoro-2-(methylamino)-

AG000N47

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CAS Number	1250921-20-0
Catalog Number	AG000N47(AGN-PC-0WANEJ)
Chemical Name	Benzoic acid, 3-fluoro-2-(methylamino)-
IUPAC Name	3-fluoro-2-(methylamino)benzoic acid
InChI	InChI=1S/C8H8FNO2/c1-10-7-5(8(11)12)3-2-4-6(7)9/h2-4,10H,1H3,(H,11,12)
InChI Key	FWNQKUNYEZRNLQ-UHFFFAOYSA-N
MDL Number	MFCD16836059
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=C(O)C1=CC=CC(F)=C1NC
Synonyms	3-fluoro-2-(methylamino)benzoic acid, 1250921-20-0, 3-fluoro-2-(methylamino)benzoicacid, SCHEMBL20303914, MFCD16836059, ZINC54188440, AKOS011943518, DS-8693, NE46121, 3-Fluoro-2-(Methylamino)-Benzoic Acid, AK174305, Benzoic acid, 3-fluoro-2-(methylamino)-,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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