AG00802V

134135-41-4 | 5-(Bromomethyl)thiophene-2-carbonitrile

AG00802V

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CAS Number	134135-41-4
Catalog Number	AG00802V(AGN-PC-0N6L30)
Chemical Name	5-(Bromomethyl)thiophene-2-carbonitrile
IUPAC Name	5-(bromomethyl)thiophene-2-carbonitrile
InChI	InChI=1S/C6H4BrNS/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2
InChI Key	GOXDYXBTGGZHMD-UHFFFAOYSA-N
MDL Number	MFCD08236857
Molecular Formula	C6H4BrNS
Molecular Weight	202.0717
SMILES	C(Br)c1sc(cc1)C#N
Synonyms	5-(bromomethyl)thiophene-2-carbonitrile, 134135-41-4, AK-58208, 2-Thiophenecarbonitrile, 5-(bromomethyl)-, ACMC-1BYIH, SCHEMBL1482051, CTK0G9999, KS-00000EZD, DTXSID10441723, 2-cyano-5-(bromomethyl)thiophene, GOXDYXBTGGZHMD-UHFFFAOYSA-N, 5-bromomethylthiophene-2-carbonitrile, ANW-72017, MFCD08236857, ZINC26422793, 5-bromomethyl-thiophene-2-carbonitrile, AKOS005208489, 5-(bromomethyl)-2-thiophencarbonitrile, AB44189, FCH1386516, MCULE-3770644650, MP-0943, QC-6010, AJ-82269, BBV-40262623, DS-16085, AB0068991, AX8101232, TC-160762, 4CH-006503, ST24032879, Z4102, EN300-225703, F2147-0253, C6H4BrNS, CID10560016,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.925g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.069g/mol
Monoisotopic Mass	200.925g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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