AG000C2F

1162676-00-7 | Benzoic acid, 4-amino-3,5-difluoro-, methyl ester

AG000C2F

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CAS Number	1162676-00-7
Catalog Number	AG000C2F(AGN-PC-02O8R6)
Chemical Name	Benzoic acid, 4-amino-3,5-difluoro-, methyl ester
IUPAC Name	methyl 4-amino-3,5-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key	USVQDPOQLNDARY-UHFFFAOYSA-N
MDL Number	MFCD20725083
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	O=C(OC)C1=CC(F)=C(N)C(F)=C1
Synonyms	methyl 4-amino-3,5-difluorobenzoate, 1162676-00-7, methyl4-amino-3,5-difluorobenzoate, SCHEMBL3445770, CTK8E6045, USVQDPOQLNDARY-UHFFFAOYSA-N, MFCD20725083, ZINC59358694, AKOS024203523, NE44833, SB11378, KS-000004D1, AS-33955, TX-017735, CS-0049059, 4-amino-3,5-difluoro-benzoic acid methyl ester, Benzoic acid, 4-amino-3,5-difluoro-, methyl ester,

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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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