200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 27565-92-0
27565-92-0 | 1,1'-Biphenyl, 3-(methylthio)-4-nitro-
CAS No: 27565-92-0 Catalog No: AG002U2S MDL No:
Product Description
Catalog Number:
AG002U2S
Chemical Name:
1,1'-Biphenyl, 3-(methylthio)-4-nitro-
CAS Number:
27565-92-0
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
IUPAC Name:
2-methylsulfanyl-1-nitro-4-phenylbenzene
InChI:
InChI=1S/C13H11NO2S/c1-17-13-9-11(7-8-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
DBNHPPQEJPVKKL-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1[N+](=O)[O-])c1ccccc1
NSC Number:
136327
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.