200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 76697-43-3
76697-43-3 | 1-NITRO-2-(PROPYLSULFONYL)BENZENE
CAS No: 76697-43-3 Catalog No: AG005AJL MDL No:
Product Description
Catalog Number:
AG005AJL
Chemical Name:
1-NITRO-2-(PROPYLSULFONYL)BENZENE
CAS Number:
76697-43-3
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
1-nitro-2-propylsulfonylbenzene
InChI:
InChI=1S/C9H11NO4S/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
VXRVZVNWVDJRGL-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccccc1[N+](=O)[O-]
EC Number:
278-525-1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.