AG002GKQ

18791-99-6 | 4-bromothiophene-2-carbonitrile

AG002GKQ

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CAS Number	18791-99-6
Catalog Number	AG002GKQ(AGN-PC-000YM4)
Chemical Name	4-bromothiophene-2-carbonitrile
IUPAC Name	4-bromothiophene-2-carbonitrile
InChI	InChI=1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H
InChI Key	DJYVXBJLHPKUKS-UHFFFAOYSA-N
MDL Number	MFCD00114951
Molecular Formula	C5H2BrNS
Molecular Weight	188.0451
SMILES	BrC1=CSC(=C1)C#N
Synonyms	4-bromothiophene-2-carbonitrile, 18791-99-6, 4-Bromo-2-cyanothiophene, 2-Thiophenecarbonitrile,4-bromo-, 2-THIOPHENECARBONITRILE, 4-BROMO-, DJYVXBJLHPKUKS-UHFFFAOYSA-N, 4-bromo-2-cyanothiophen, ACMC-1BW2F, AC1Q25CN, SCHEMBL1492367, 4-bromo-2-thiophenecarbonitrile, CTK4D9662, 4-bromo -2-thiophenecarbonitrile, 4-bromo-2-thiophene carbonitrile, 4-bromo-thiophene-2-carbonitrile, DTXSID90558540, ANW-23378, MFCD00114951, SBB018975, STK694440, ZINC14988315, AKOS005606239, AN-5876, FS-2336, MCULE-2536655690, PB27427, QC-5926, VT20281, KS-0000259O, AJ-66638, AK-81516, CJ-14888, SY050901, ST4145808, TR-008696, 4-bromothiophene-2-carbonitrile, AldrichCPR, 4CH-004074, B4212, CS-0053899, FT-0678174, V3994, EN300-49667, MFCD00114951 (97%), B-7584, I09-2349, C5H2BrNS,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.909g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.042g/mol
Monoisotopic Mass	186.909g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number