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17402-78-7 | Benzo[b]thiophene, 3-bromo-2-nitro-
CAS No: 17402-78-7 Catalog No: AG001ZEV MDL No:
Product Description
Catalog Number:
AG001ZEV
Chemical Name:
Benzo[b]thiophene, 3-bromo-2-nitro-
CAS Number:
17402-78-7
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
IUPAC Name:
3-bromo-2-nitro-1-benzothiophene
InChI:
InChI=1S/C8H4BrNO2S/c9-7-5-3-1-2-4-6(5)13-8(7)10(11)12/h1-4H
InChI Key:
NEVPNAJUHZJMLO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc2c(c1Br)cccc2
NSC Number:
167741
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.915g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.089g/mol
Monoisotopic Mass:
256.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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