200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1020252-75-8
1020252-75-8 | Carbamic acid, N-(3-bromo-5-nitrophenyl)-, phenylmethyl ester
CAS No: 1020252-75-8 Catalog No: AG0006CT MDL No:MFCD01013391
Product Description
Catalog Number:
AG0006CT
Chemical Name:
Carbamic acid, N-(3-bromo-5-nitrophenyl)-, phenylmethyl ester
CAS Number:
1020252-75-8
Molecular Formula:
C14H11BrN2O4
Molecular Weight:
351.1521
MDL Number:
MFCD01013391
IUPAC Name:
benzyl N-(3-bromo-5-nitrophenyl)carbamate
InChI:
InChI=1S/C14H11BrN2O4/c15-11-6-12(8-13(7-11)17(19)20)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChI Key:
YVVHYVDFMBLQQC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Br)cc(c1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.99g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.156g/mol
Monoisotopic Mass:
349.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.