AG008Z3W

1105665-42-6 | Benzonitrile, 5-broMo-2,3-difluoro-

AG008Z3W

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CAS Number	1105665-42-6
Catalog Number	AG008Z3W(AGN-PC-0WD170)
Chemical Name	Benzonitrile, 5-broMo-2,3-difluoro-
IUPAC Name	5-bromo-2,3-difluorobenzonitrile
InChI	InChI=1S/C7H2BrF2N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChI Key	MMCIFQUWYTZTIW-UHFFFAOYSA-N
MDL Number	MFCD15528910
Molecular Formula	C7H2BrF2N
Molecular Weight	217.9983
SMILES	N#CC1=CC(Br)=CC(F)=C1F
Synonyms	5-Bromo-2,3-difluorobenzonitrile, 1105665-42-6, Benzonitrile, 5-bromo-2,3-difluoro-, SCHEMBL504867, DTXSID90732388, MMCIFQUWYTZTIW-UHFFFAOYSA-N, MFCD15528910, ZINC91301801, AKOS016012541, FCH1391302, AK127362, PC501971, PS-10152, AJ-129934, AX8249153, X3479, C7H2BrF2N,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.934g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.001g/mol
Monoisotopic Mass	216.934g/mol
Rotatable Bond Count	0
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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number