AG0063WT

925672-88-4 | 5-Bromo-2-cyanobenzeneacetonitrile

AG0063WT

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CAS Number	925672-88-4
Catalog Number	AG0063WT(AGN-PC-00S5QK)
Chemical Name	5-Bromo-2-cyanobenzeneacetonitrile
IUPAC Name	4-bromo-2-(cyanomethyl)benzonitrile
InChI	InChI=1S/C9H5BrN2/c10-9-2-1-8(6-12)7(5-9)3-4-11/h1-2,5H,3H2
InChI Key	ULEYEDQUDZWJBR-UHFFFAOYSA-N
MDL Number	MFCD09999213
Molecular Formula	C9H5BrN2
Molecular Weight	221.0534
SMILES	BrC1=CC(=C(C=C1)C#N)CC#N
Synonyms	5-Bromo-2-cyanobenzeneacetonitrile, 925672-88-4, 4-bromo-2-(cyanomethyl)benzonitrile, AK-24610, SCHEMBL1519547, CTK8B5898, KS-00000HUU, DTXSID80581544, ULEYEDQUDZWJBR-UHFFFAOYSA-N, 2-Cyano-5-bromobenzeneacetonitrile, ANW-50939, MFCD09999213, ZINC34947358, AKOS015834803, Benzeneacetonitrile, 5-bromo-2-cyano-, FCH1397513, FS-2789, AJ-90460, BR-24610, AX8161338, TR-029026, 4CH-008702, ST24029367, W9548, S-6763, C9H5BrN2,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.964g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.057g/mol
Monoisotopic Mass	219.964g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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