AG00IIVA

952285-52-8 | Methyl 4-amino-2,5-difluorobenzoate

AG00IIVA

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CAS Number	952285-52-8
Catalog Number	AG00IIVA(AGN-PC-0WANDE)
Chemical Name	Methyl 4-amino-2,5-difluorobenzoate
IUPAC Name	methyl 4-amino-2,5-difluorobenzoate
InChI	InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
InChI Key	WFHMJOPCOWABHH-UHFFFAOYSA-N
MDL Number	MFCD20725922
Molecular Formula	C8H7F2NO2
Molecular Weight	187.1435
SMILES	O=C(OC)C1=CC(F)=C(N)C=C1F
Synonyms	METHYL 4-AMINO-2,5-DIFLUOROBENZOATE, 952285-52-8, 4-amino-2,5-difluoro-benzoic acid methyl ester, SCHEMBL2080318, KS-00000SAJ, DTXSID50736721, WFHMJOPCOWABHH-UHFFFAOYSA-N, MFCD20725922, ZINC95803906, AKOS024203522, Methyl 4-amino-2,5-difluoro-benzoate, DS-9447, AK151293, AJ-133928, Benzoicacid,4-amino-2,5-difluoro-,methylester,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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