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Home > Nitro Compounds > 6639-36-7
6639-36-7 | 2-Nitrodibenzo[b,d]thiophene
CAS No: 6639-36-7 Catalog No: AG003HSM MDL No:MFCD00092341
Product Description
Catalog Number:
AG003HSM
Chemical Name:
2-Nitrodibenzo[b,d]thiophene
CAS Number:
6639-36-7
Molecular Formula:
C12H7NO2S
Molecular Weight:
229.2545
MDL Number:
MFCD00092341
IUPAC Name:
2-nitrodibenzothiophene
InChI:
InChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
InChI Key:
GXLYVLHWXVRVKI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2
NSC Number:
16062
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.253g/mol
Monoisotopic Mass:
229.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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