AG000STX

126480-32-8 | Benzoic acid, 2-amino-4-fluoro-3-methoxy-

AG000STX

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CAS Number	126480-32-8
Catalog Number	AG000STX(AGN-PC-08VKM9)
Chemical Name	Benzoic acid, 2-amino-4-fluoro-3-methoxy-
IUPAC Name	2-amino-4-fluoro-3-methoxybenzoic acid
InChI	InChI=1S/C8H8FNO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key	GDMDGZTWBKBRRA-UHFFFAOYSA-N
MDL Number	MFCD14706679
Molecular Formula	C8H8FNO3
Molecular Weight	185.1524
SMILES	NC1=C(C(=O)O)C=CC(=C1OC)F
Synonyms	2-amino-3-methoxy-4-fluorobenzoic acid, 126480-32-8, 2-AMINO-4-FLUORO-3-METHOXYBENZOIC ACID, AK-47797, Benzoic acid, 2-amino-4-fluoro-3-methoxy-, SCHEMBL15846115, CTK4B5193, DTXSID00678920, ANW-72894, MFCD14706679, ZINC51951633, AKOS005145930, CS-W003869, DS-1578, FCH1159614, QC-3868, RP24529, TRA0002630, 2-amino-4-fluoro-3-methoxy benzoic acid, 2-Amino-4-fluoro-3-methoxy-benzoic acid, BC620264, BR-47797, SY022079, AB0035358, AJ-111907, AX8211794, DB-017837, ST2409473, TC-161639, 4CH-000656, AM20020351, FT-0083463, FT-0651443, X9672, S-3739, MFCD14706679 (95+%), J-507793, C8H8FNO3, 23100-12-1,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.154g/mol
Monoisotopic Mass	185.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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