AG00GSXA

90004-90-3 | 2-BROMOPHENOXYACETONITRILE, 99

AG00GSXA

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CAS Number	90004-90-3
Catalog Number	AG00GSXA(AGN-PC-0VPWAA)
Chemical Name	2-BROMOPHENOXYACETONITRILE, 99
IUPAC Name	2-(2-bromophenoxy)acetonitrile
InChI	InChI=1S/C8H6BrNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2
InChI Key	VNMBGABMQPZLCO-UHFFFAOYSA-N
MDL Number	MFCD00798567
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	Brc1ccccc1OCC#N
Synonyms	2-(2-bromophenoxy)acetonitrile, 90004-90-3, 2-BROMOPHENOXYACETONITRILE, MFCD00798567, 2-(2-bromophenoxy)ethanenitrile, 2-(2-Bromophenoxy)-acetonitrile, AC1MC0LN, ACMC-209r4a, SCHEMBL521099, 2-(o-bromophenoxy)acetonitrile, CTK3J3374, DTXSID90370163, VNMBGABMQPZLCO-UHFFFAOYSA-N, AC1Q2564, ZINC2569754, ANW-39416, SBB005817, AKOS000171114, 2-BROMOPHENOXYACETONITRILE, 99, MCULE-8563259083, RTR-028236, CJ-09872, TR-028236, ST50307787, V8868, B-4159, J-505553, I14-24700, C8H6BrNO, ZINC02569754, CID2734208,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number