Home Nitriles 3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile

3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile

CAS No.:
71683-02-8
Catalog Number:
AG0063JY
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
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Product Description
Catalog Number:
AG0063JY
Chemical Name:
3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile
CAS Number:
71683-02-8
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
MDL Number:
MFCD07785836
IUPAC Name:
3-(5-bromothiophen-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H4BrNOS/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2H,3H2
InChI Key:
LKOVNZVKMAKROL-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)C(=O)CC#N
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.92g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.079g/mol
Monoisotopic Mass:
228.92g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties