200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 13756-40-6
13756-40-6 | Benzoic acid, 4-nitro-, 1-methylethyl ester
CAS No: 13756-40-6 Catalog No: AG0013JW MDL No:MFCD00114618
Product Description
Catalog Number:
AG0013JW
Chemical Name:
Benzoic acid, 4-nitro-, 1-methylethyl ester
CAS Number:
13756-40-6
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00114618
IUPAC Name:
propan-2-yl 4-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
InChI Key:
JSZSPHFHMMXJEU-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(cc1)[N+](=O)[O-])C
NSC Number:
50762
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Isopropyl 4-nitro-benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.