AG0014ZB

1214387-06-0 | Benzoic acid, 4,5-difluoro-2-nitro-, ethyl ester

AG0014ZB

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CAS Number	1214387-06-0
Catalog Number	AG0014ZB(AGN-PC-02ZT0Z)
Chemical Name	Benzoic acid, 4,5-difluoro-2-nitro-, ethyl ester
IUPAC Name	ethyl 4,5-difluoro-2-nitrobenzoate
InChI	InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-6(10)7(11)4-8(5)12(14)15/h3-4H,2H2,1H3
InChI Key	CWBDZGOBRZAYMQ-UHFFFAOYSA-N
MDL Number	MFCD11042826
Molecular Formula	C9H7F2NO4
Molecular Weight	231.1530
SMILES	O=C(OCC)C1=CC(F)=C(F)C=C1[N+]([O-])=O
Synonyms	Ethyl 4,5-Difluoro-2-nitrobenzoate, 1214387-06-0, 4,5-Difluoro-2-nitrobenzoic Acid Ethyl Ester, SCHEMBL2684598, CWBDZGOBRZAYMQ-UHFFFAOYSA-N, Ethyl4,5-Difluoro-2-nitrobenzoate, KS-00000BJ5, 6766AJ, MFCD11042826, ZINC47202810, AKOS011265615, CS-11250, SY012357, TC-308282, MFCD11042826 (95%), Benzoic acid, 4,5-difluoro-2-nitro-, ethyl ester, C9H7F2NO4, 101-97-3,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.034g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.155g/mol
Monoisotopic Mass	231.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number