200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87457-99-6
87457-99-6 | Carbamic acid, (4-nitrophenyl)-, butyl ester
CAS No: 87457-99-6 Catalog No: AG004FTR MDL No:
Product Description
Catalog Number:
AG004FTR
Chemical Name:
Carbamic acid, (4-nitrophenyl)-, butyl ester
CAS Number:
87457-99-6
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
butyl N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C11H14N2O4/c1-2-3-8-17-11(14)12-9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
InChI Key:
FWMIXGBPRUFSQN-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^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.