AG000F2O

1147107-15-0 | Benzoic acid, 2-amino-4,6-difluoro-, ethyl ester

AG000F2O

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CAS Number	1147107-15-0
Catalog Number	AG000F2O(AGN-PC-0WD4MI)
Chemical Name	Benzoic acid, 2-amino-4,6-difluoro-, ethyl ester
IUPAC Name	ethyl 2-amino-4,6-difluorobenzoate
InChI	InChI=1S/C9H9F2NO2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2,12H2,1H3
InChI Key	UQVMTSBAMCLIPD-UHFFFAOYSA-N
MDL Number	MFCD12159820
Molecular Formula	C9H9F2NO2
Molecular Weight	201.1701
SMILES	O=C(OCC)C1=C(F)C=C(F)C=C1N
Synonyms	Ethyl 2-amino-4,6-difluorobenzoate, 1147107-15-0, SCHEMBL2770213, ZINC37475344, DS-8374, AK145950, CS-0102725, Benzoic acid, 2-amino-4,6-difluoro-, ethyl ester, AJ-94021,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.060135g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.17g/mol
Monoisotopic Mass	201.060135g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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