AG00DJFJ

4915-06-4 | 5-broMo-2-furonitrile

AG00DJFJ

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CAS Number	4915-06-4
Catalog Number	AG00DJFJ(AGN-PC-0JV8ZJ)
Chemical Name	5-broMo-2-furonitrile
IUPAC Name	5-bromofuran-2-carbonitrile
InChI	InChI=1S/C5H2BrNO/c6-5-2-1-4(3-7)8-5/h1-2H
InChI Key	VWVGOXGBMHAFFK-UHFFFAOYSA-N
MDL Number	MFCD03410206
Molecular Formula	C5H2BrNO
Molecular Weight	171.9795
SMILES	N#CC1=CC=C(Br)O1
Synonyms	5-bromofuran-2-carbonitrile, 4915-06-4, 5-bromo-2-furonitrile, 2-Furancarbonitrile, 5-bromo-, ZERO/001797, 5-cyano-2-bromofuran, 2-Bromo-5-cyanofuran, AC1LE9OJ, SCHEMBL2300931, CTK1D1037, ZINC97639, DTXSID00351761, VWVGOXGBMHAFFK-UHFFFAOYSA-N, MFCD03410206, SBB000174, STK681074, AKOS005596197, CS-W004524, DS-7993, MCULE-2070960305, KS-00000S29, AJ-11045, AK145113, QC-10341, SC-90570, ST037042, EN300-93755, L-4887, F2111-0069, CID708670,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.932g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.981g/mol
Monoisotopic Mass	170.932g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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