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1381944-75-7 | Carbamic acid, N-(4'-cyano-3'-fluoro[1,1'-biphenyl]-4-yl)-, phenylmethyl ester
CAS No: 1381944-75-7 Catalog No: AG00187L MDL No:MFCD22375060
Product Description
Catalog Number:
AG00187L
Chemical Name:
Carbamic acid, N-(4'-cyano-3'-fluoro[1,1'-biphenyl]-4-yl)-, phenylmethyl ester
CAS Number:
1381944-75-7
Molecular Formula:
C21H15FN2O2
Molecular Weight:
346.3544
MDL Number:
MFCD22375060
IUPAC Name:
benzyl N-[4-(4-cyano-3-fluorophenyl)phenyl]carbamate
InChI:
InChI=1S/C21H15FN2O2/c22-20-12-17(6-7-18(20)13-23)16-8-10-19(11-9-16)24-21(25)26-14-15-4-2-1-3-5-15/h1-12H,14H2,(H,24,25)
InChI Key:
GXVLLWPSFPWDHT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1ccc(cc1)NC(=O)OCc1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.361g/mol
Monoisotopic Mass:
346.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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