200,000+ products from a single source!
sales@angenechem.com
147636-85-9 | 1-Azetidinecarboxylic acid, 3,3-dinitro-, phenylmethyl ester
CAS No: 147636-85-9 Catalog No: AG001F1O MDL No:
Product Description
Catalog Number:
AG001F1O
Chemical Name:
1-Azetidinecarboxylic acid, 3,3-dinitro-, phenylmethyl ester
CAS Number:
147636-85-9
Molecular Formula:
C11H11N3O6
Molecular Weight:
281.2215
IUPAC Name:
benzyl 3,3-dinitroazetidine-1-carboxylate
InChI:
InChI=1S/C11H11N3O6/c15-10(20-6-9-4-2-1-3-5-9)12-7-11(8-12,13(16)17)14(18)19/h1-5H,6-8H2
InChI Key:
UMHYCEHLBGDGLR-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)([N+](=O)[O-])[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.224g/mol
Monoisotopic Mass:
281.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.