AG000RX8

126163-58-4 | Benzonitrile, 4-bromo-2,3-difluoro-

AG000RX8

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CAS Number	126163-58-4
Catalog Number	AG000RX8(AGN-PC-0WAMRB)
Chemical Name	Benzonitrile, 4-bromo-2,3-difluoro-
IUPAC Name	4-bromo-2,3-difluorobenzonitrile
InChI	InChI=1S/C7H2BrF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChI Key	ITPYJIMXMPQSBK-UHFFFAOYSA-N
MDL Number	MFCD09030640
Molecular Formula	C7H2BrF2N
Molecular Weight	217.9983
SMILES	BrC1=C(C(=C(C#N)C=C1)F)F
Synonyms	4-Bromo-2,3-difluorobenzonitrile, 126163-58-4, AK135701, SCHEMBL9447055, CTK7C7581, DTXSID20599648, ITPYJIMXMPQSBK-UHFFFAOYSA-N, ZX-AP002157, MFCD09030640, PC9171, SBB095484, ZINC16159965, 4-Bromo-1-cyano-2,3-difluorobenzene, AKOS015964255, Benzonitrile, 4-bromo-2,3-difluoro-, FCH1390428, PS-7917, 4-bromo-2,3-difluorobenzenecarbonitrile, AJ-68826, AX8212949, ACN-055788, K-2040,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number