AG00HEMW

1186194-15-9 | Methyl 3-amino-2,5-difluorobenzoate

AG00HEMW

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CAS Number	1186194-15-9
Catalog Number	AG00HEMW
Chemical Name	Methyl 3-amino-2,5-difluorobenzoate
IUPAC Name	methyl 3-amino-2,5-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
InChI Key	WLDJUQONBUMMQH-UHFFFAOYSA-N
MDL Number	MFCD17276533
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	O=C(OC)C1=CC(F)=CC(N)=C1F
Synonyms	methyl 3-amino-2,5-difluorobenzoate, 1186194-15-9, SCHEMBL913269, MFCD17276533, ZINC62350392, AKOS012322171, AS-41122, Z1243551479, methyl 3-amino-2,5-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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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