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18895-10-8 | 3-Thiophenecarbonitrile, 4-bromo-
CAS No: 18895-10-8 Catalog No: AG002HLD MDL No:MFCD00847584
Product Description
Catalog Number:
AG002HLD
Chemical Name:
3-Thiophenecarbonitrile, 4-bromo-
CAS Number:
18895-10-8
Molecular Formula:
C5H2BrNS
Molecular Weight:
188.0451
MDL Number:
MFCD00847584
IUPAC Name:
4-bromothiophene-3-carbonitrile
InChI:
InChI=1S/C5H2BrNS/c6-5-3-8-2-4(5)1-7/h2-3H
InChI Key:
RTOSSMAWCKNWFX-UHFFFAOYSA-N
SMILES:
Brc1cscc1C#N
Properties
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
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