AG000K62

123207-39-6 | Benzoic acid, 5-amino-2-fluoro-, ethyl ester

AG000K62

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CAS Number	123207-39-6
Catalog Number	AG000K62(AGN-PC-03LK3T)
Chemical Name	Benzoic acid, 5-amino-2-fluoro-, ethyl ester
IUPAC Name	ethyl 5-amino-2-fluorobenzoate
InChI	InChI=1S/C9H10FNO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChI Key	NNAFCORMAIIDSV-UHFFFAOYSA-N
MDL Number	MFCD09037896
Molecular Formula	C9H10FNO2
Molecular Weight	183.1796
SMILES	O=C(OCC)C1=CC(N)=CC=C1F
Synonyms	Ethyl 5-Amino-2-fluorobenzoate, 123207-39-6, ethyl-5-amino-2-fluorobenzoate, Ethyl 2-fluoro-5-aminobenzoate, 5-Amino-2-fluorobenzoic acid ethyl ester, Benzoic acid,5-amino-2-fluoro-, ethyl ester, Benzoic acid, 5-amino-2-fluoro-, ethyl ester, ACMC-1C7DH, SCHEMBL1496445, CTK4B3424, DTXSID60623299, NNAFCORMAIIDSV-UHFFFAOYSA-N, AB2829, MFCD09037896, ZINC21297599, AKOS009164918, AS-44658, 5-amino-2-fluoro-benzoic acid ethyl ester, TL8000619, FT-0757036,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.07g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.182g/mol
Monoisotopic Mass	183.07g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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