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1312118-13-0 | Benzo[b]thiophene-2-carbonitrile, 4-bromo-
CAS No: 1312118-13-0 Catalog No: AG000VQP MDL No:MFCD19381765
Product Description
Catalog Number:
AG000VQP
Chemical Name:
Benzo[b]thiophene-2-carbonitrile, 4-bromo-
CAS Number:
1312118-13-0
Molecular Formula:
C9H4BrNS
Molecular Weight:
238.1038
MDL Number:
MFCD19381765
IUPAC Name:
4-bromo-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4BrNS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4H
InChI Key:
HPAHLXFGKIUPEF-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(c1)c(Br)ccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.925g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.102g/mol
Monoisotopic Mass:
236.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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