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18791-98-5 | 2-Thiophenecarbonitrile, 3-bromo-
CAS No: 18791-98-5 Catalog No: AG002GKR MDL No:MFCD00068173
Product Description
Catalog Number:
AG002GKR
Chemical Name:
2-Thiophenecarbonitrile, 3-bromo-
CAS Number:
18791-98-5
Molecular Formula:
C5H2BrNS
Molecular Weight:
188.0451
MDL Number:
MFCD00068173
IUPAC Name:
3-bromothiophene-2-carbonitrile
InChI:
InChI=1S/C5H2BrNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChI Key:
RNIRKEQGYHHNSE-UHFFFAOYSA-N
SMILES:
N#Cc1sccc1Br
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:
2.3
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