AG0093ZJ

105003-88-1 | 2-(3-Fluoro-2-nitrophenyl)acetonitrile

AG0093ZJ

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CAS Number	105003-88-1
Catalog Number	AG0093ZJ(AGN-PC-00N5OX)
Chemical Name	2-(3-Fluoro-2-nitrophenyl)acetonitrile
IUPAC Name	2-(3-fluoro-2-nitrophenyl)acetonitrile
InChI	InChI=1S/C8H5FN2O2/c9-7-3-1-2-6(4-5-10)8(7)11(12)13/h1-3H,4H2
InChI Key	LWLBXNKHOMUBAF-UHFFFAOYSA-N
MDL Number	MFCD13194393
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	N#CCC1=CC=CC(F)=C1[N+]([O-])=O
Synonyms	2-(3-Fluoro-2-nitrophenyl)acetonitrile, 105003-88-1, AK128678, SCHEMBL10958461, KS-00000RDX, DTXSID20544294, 1173AA, MFCD13194393, ZINC95093360, (3-Fluoro-2-nitrophenyl)acetonitrile, AKOS016000876, DS-5910, FCH1157410, AJ-132454, AX8250740, ST2403892, 4CH-003790, C8H5FN2O2, 2-(3-Fluoro-2-nitrophenyl)acetoni trile,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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