AG003GIE

874804-26-9 | 2-Amino-6-fluoro-3-methylbenzoic acid

AG003GIE

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CAS Number	874804-26-9
Catalog Number	AG003GIE(AGN-PC-05FBED)
Chemical Name	2-Amino-6-fluoro-3-methylbenzoic acid
IUPAC Name	2-amino-6-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H8FNO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key	LQGPVQQUWJIZAH-UHFFFAOYSA-N
MDL Number	MFCD06409108
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=C(O)C1=C(F)C=CC(C)=C1N
Synonyms	2-amino-6-fluoro-3-methylbenzoic acid, 874804-26-9, AC1Q2FJ1, SCHEMBL16277787, CTK7I6300, KS-00000CPG, LQGPVQQUWJIZAH-UHFFFAOYSA-N, 5457AJ, MFCD06409108, ZINC20362716, 2-Amino-6-fluoro-3-methylbenzoicAcid, AKOS009113693, MCULE-1427082006, TRA0064780, AJ-77287, AS-32053, DA-16926, SY015359, TC-307026, FT-0733167, EN300-60010, Z-4310, MFCD06409108 (97+%), 2-amino-6-fluoro-3-methylbenzoic acid, AldrichCPR, Z228589680, C8H8FNO2, 885519-34-6,

Complexity	186
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	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number