200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89841-01-0
89841-01-0 | Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester
CAS No: 89841-01-0 Catalog No: AG003YRP MDL No:
Product Description
Catalog Number:
AG003YRP
Chemical Name:
Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester
CAS Number:
89841-01-0
Molecular Formula:
C12H17NO5S
Molecular Weight:
287.3321
IUPAC Name:
2,2-dimethylpropyl (4-nitrophenyl)methanesulfonate
InChI:
InChI=1S/C12H17NO5S/c1-12(2,3)9-18-19(16,17)8-10-4-6-11(7-5-10)13(14)15/h4-7H,8-9H2,1-3H3
InChI Key:
VGHHWXIFLPCQJZ-UHFFFAOYSA-N
SMILES:
CC(COS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.33g/mol
Monoisotopic Mass:
287.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.