AG002PBJ

2475-81-2 | Benzoic acid, 2-amino-4-fluoro-, methyl ester

AG002PBJ

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CAS Number	2475-81-2
Catalog Number	AG002PBJ(AGN-PC-000BX0)
Chemical Name	Benzoic acid, 2-amino-4-fluoro-, methyl ester
IUPAC Name	methyl 2-amino-4-fluorobenzoate
InChI	InChI=1S/C8H8FNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChI Key	UBFRSTYHLYPSND-UHFFFAOYSA-N
MDL Number	MFCD11054082
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	COC(=O)C1=C(N)C=C(F)C=C1
Synonyms	methyl 2-amino-4-fluorobenzoate, 2475-81-2, Methyl2-amino-4-fluorobenzoate, Benzoic acid, 2-amino-4-fluoro-, methyl ester, MFCD11054082, 2-amino-4-fluorobenzoic acid methyl ester, 2-Amino-4-fluoro-benzoic acid methyl ester, ACMC-209gej, Intermediates-ZCF02666, methyl 4-fluoroanthranilate, AC1Q42HA, SCHEMBL1035480, CTK4F4345, KS-00000BFF, DTXSID70555517, UBFRSTYHLYPSND-UHFFFAOYSA-N, ACN-S002961, ANW-25529, ZINC20429563, AKOS005260316, CM12395, CS-W001513, MCULE-9731982900, TRA0083563, AJ-77494, CJ-16741, CS-11130, SC-35084, SY006271, AB1000743, DB-067261, TR-036252, FT-0720321, V4656, EN300-42148, K-6580, MFCD11054082 (97+%), J-015660, I01-10069, null, C8H8FNO2,

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	1
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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