AG000IT6

1184204-30-5 | Benzoic acid, 2-amino-3,6-difluoro-, methyl ester

AG000IT6

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CAS Number	1184204-30-5
Catalog Number	AG000IT6(AGN-PC-080FIM)
Chemical Name	Benzoic acid, 2-amino-3,6-difluoro-, methyl ester
IUPAC Name	methyl 2-amino-3,6-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3
InChI Key	SWVGSVMHUSBITN-UHFFFAOYSA-N
MDL Number	MFCD12159870
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	COC(=O)C1=C(N)C(F)=CC=C1F
Synonyms	Methyl 2-amino-3,6-difluorobenzoate, 1184204-30-5, MFCD12159870, methyl2-amino-3,6-difluorobenzoate, PubChem14018, KSC005Q1J, CTK9A5814, DTXSID70677405, 2986AA, CL8518, FC1116, ZINC37475418, AKOS015890276, AM84008, AJ-94024, AS-46041, CJ-19056, AB0058182, DB-011580, FT-0765339, ST24047661, 2-Amino-3,6-difluoro-benzoic acid methyl ester, Benzoic acid, 2-amino-3,6-difluoro-, methyl ester, I01-6133, C8H7F2NO2, A11583, methyl 2-amino-3,6-difluorobenzoate, 95% - 1G 1g,

Complexity	201
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	1.8

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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