200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 17514-62-4
17514-62-4 | Benzo[b]thiophene, 3-methyl-5-nitro-
CAS No: 17514-62-4 Catalog No: AG0020CO MDL No:MFCD12545837
Product Description
Catalog Number:
AG0020CO
Chemical Name:
Benzo[b]thiophene, 3-methyl-5-nitro-
CAS Number:
17514-62-4
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD12545837
IUPAC Name:
3-methyl-5-nitro-1-benzothiophene
InChI:
InChI=1S/C9H7NO2S/c1-6-5-13-9-3-2-7(10(11)12)4-8(6)9/h2-5H,1H3
InChI Key:
ZHFCNWVBMJIBPC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(C)csc2cc1
NSC Number:
108927
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.