AG0035VQ

50916-55-7 | 3-Cyanophenacyl Bromide

AG0035VQ

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CAS Number	50916-55-7
Catalog Number	AG0035VQ(AGN-PC-0KK7EQ)
Chemical Name	3-Cyanophenacyl Bromide
IUPAC Name	3-(2-bromoacetyl)benzonitrile
InChI	InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
InChI Key	XWCGNFLHRINYCE-UHFFFAOYSA-N
MDL Number	MFCD00833267
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	C(#N)C=1C=C(C(CBr)=O)C=CC1
Synonyms	3-(2-Bromoacetyl)benzonitrile, 50916-55-7, 3-Cyanophenacyl bromide, 3-CYANOPHENACYLBROMIDE, 2-Bromo-3'-cyanoacetophenone, 3-(bromoacetyl)benzonitrile, 3-(2-bromoacetyl)benzenecarbonitrile, 3-(2-bromo-acetyl)-benzonitrile, Benzonitrile, 3-(bromoacetyl)-, CHEMBL1801626, AC1MC4AM, 3-bromoacetyl-benzonitrile, 3-Bromoacetyl benzonitrile, bromoacetylbenzenecarbonitrile, SCHEMBL38645, 2-bromo-3'-cyano-acetophenone, CTK4J3378, DTXSID70370989, Benzonitrile,3-(2-bromoacetyl)-, BUTTPARK 41\03-54, XWCGNFLHRINYCE-UHFFFAOYSA-N, ZINC166819, ACT10830, BCP27177, ZX-AT005270, ANW-52719, BDBM50347524, MFCD00833267, OR0311, SBB051663, STL183350, AKOS004911132, AS05103, CB-2239, CM11137, FCH4859558, MCULE-6844529304, RP12947, ACM50916557, KS-0000179C, AC-23048, AJ-16548, AK-50978, AN-41387, BBV-36967062, BC680221, CC-14928, CJ-02335, SC-13409, ZB008694, 3-(2-bromoacetyl)benzonitrile, AldrichCPR, AB0001768, AX8007226, DB-008301, ST2417341, TC-060321, AM20040588, B4079, FT-0613525, ST51041835, X2966, EN300-68614, M-8216, 916B557, C-12608, 12X-0924, I01-8024, J-510485, 3- benzonitrile, C9H6BrNO, 2-Fluoro-6-Iodo-benzenemethanol, ZINC00166819, ACN-046183, CID2735867, A7546, 1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1073372-04-9,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number