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175135-37-2 | Benzeneacetonitrile, 4-[[(phenylamino)carbonyl]oxy]-
CAS No: 175135-37-2 Catalog No: AG00206R MDL No:MFCD00067748
Product Description
Catalog Number:
AG00206R
Chemical Name:
Benzeneacetonitrile, 4-[[(phenylamino)carbonyl]oxy]-
CAS Number:
175135-37-2
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD00067748
IUPAC Name:
[4-(cyanomethyl)phenyl] N-phenylcarbamate
InChI:
InChI=1S/C15H12N2O2/c16-11-10-12-6-8-14(9-7-12)19-15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChI Key:
MIZOYFZCTNZOGR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OC(=O)Nc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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