AG002F9E

191478-99-6 | Benzoic acid, 4-amino-2,6-difluoro-, methyl ester

AG002F9E

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CAS Number	191478-99-6
Catalog Number	AG002F9E(AGN-PC-03X6JP)
Chemical Name	Benzoic acid, 4-amino-2,6-difluoro-, methyl ester
IUPAC Name	methyl 4-amino-2,6-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)7-5(9)2-4(11)3-6(7)10/h2-3H,11H2,1H3
InChI Key	UWPLTCWTTVMXCM-UHFFFAOYSA-N
MDL Number	MFCD16038807
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	NC1=CC(=C(C(=O)OC)C(=C1)F)F
Synonyms	Methyl 4-amino-2,6-difluorobenzoate, 191478-99-6, Benzoic acid, 4-amino-2,6-difluoro-, methyl ester, Benzoic acid, 4-amino-2,6-difluoro-, methyl ester (9CI), SCHEMBL5967903, CTK8B7512, DTXSID80629511, UWPLTCWTTVMXCM-UHFFFAOYSA-N, 9950AA, ANW-57523, methyl 2,6-difluoro-4-aminobenzoate, MFCD16038807, ZINC39083286, AKOS016001416, CS-W006904, KS-000001B6, AJ-98080, AK-79143, CJ-19721, DS-17618, ST2413384, TC-146268, 4CH-016518, FT-0687116, EN300-84899, Z1334549362, C8H7F2NO2,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.044g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.146g/mol
Monoisotopic Mass	187.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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