AG00DF45

537033-52-6 | 2-(4-Bromo-2,6-difluorophenyl)acetonitrile

AG00DF45

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CAS Number	537033-52-6
Catalog Number	AG00DF45(AGN-PC-0WNJ1S)
Chemical Name	2-(4-Bromo-2,6-difluorophenyl)acetonitrile
IUPAC Name	2-(4-bromo-2,6-difluorophenyl)acetonitrile
InChI	InChI=1S/C8H4BrF2N/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
InChI Key	LAQFPQSYKMWFAW-UHFFFAOYSA-N
MDL Number	MFCD03094464
Molecular Formula	C8H4BrF2N
Molecular Weight	232.0249
SMILES	N#CCC1=C(F)C=C(Br)C=C1F
Synonyms	2-(4-bromo-2,6-difluorophenyl)acetonitrile, 537033-52-6, 4-Bromo-2,6-difluorophenylacetonitrile, AC1MCMRI, SCHEMBL3985437, CTK7C9636, DTXSID90378361, LAQFPQSYKMWFAW-UHFFFAOYSA-N, ZINC2243324, ZX-AP007644, 7667AB, ANW-67791, CL8913, MFCD03094464, PC8243, SBB097843, AKOS015995548, FCH1320757, AJ-34293, AS-46137, AB0087529, AX8236860, TC-156536, FT-0663698, 2-(4-bromo-2,6-difluorophenyl)ethanenitrile, X-1302, C8H4BrF2N, ZINC02243324, ACN-052063, CID2773311,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.95g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.028g/mol
Monoisotopic Mass	230.95g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number