AG000IYP

1195768-18-3 | Benzoic acid, 3-amino-2-fluoro-, methyl ester

AG000IYP

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CAS Number	1195768-18-3
Catalog Number	AG000IYP(AGN-PC-07QVAM)
Chemical Name	Benzoic acid, 3-amino-2-fluoro-, methyl ester
EC Number	629-868-4
IUPAC Name	methyl 3-amino-2-fluorobenzoate
InChI	InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key	UOYDNSRSUSNCKS-UHFFFAOYSA-N
MDL Number	MFCD12923265
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	COC(=O)C1=C(F)C(N)=CC=C1
Synonyms	METHYL 3-AMINO-2-FLUOROBENZOATE, 1195768-18-3, 3-amino-2-fluoroBenzoic acid Methyl ester, 3-amino-2-fluoro-benzoic acid methyl ester, Benzoic acid, 3-amino-2-fluoro-, methyl ester, PubChem18729, ACMC-209a3b, SCHEMBL1126859, CTK8A9400, DTXSID80673195, methyl 3-amino-2-fluoro-benzoate, UOYDNSRSUSNCKS-UHFFFAOYSA-N, BCP12561, ANW-17349, MFCD12923265, ZINC47202222, AKOS016006681, AS07006, CM12401, LS10072, AS-42407, CJ-20547, Benzoicacid,3-amino-2-fluoro-,methylester, AJ-110601, DB-061571, TC-106094, CS-0038763, FT-0660924, M2868, ST24047782, Z8099, K-1383, Z2208497489, C8H8FNO2, methyl3-amino-2-fluorobenzoate, Methyl 3-amnio-2-fluorobenzoate, ACN-041342,

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	1.1

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

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