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821768-22-3 | phenyl N-(quinolin-3-yl)carbamate
CAS No: 821768-22-3 Catalog No: AG01B6US MDL No:MFCD30342568
Product Description
Catalog Number:
AG01B6US
Chemical Name:
phenyl N-(quinolin-3-yl)carbamate
CAS Number:
821768-22-3
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
MDL Number:
MFCD30342568
IUPAC Name:
phenyl N-quinolin-3-ylcarbamate
InChI:
InChI=1S/C16H12N2O2/c19-16(20-14-7-2-1-3-8-14)18-13-10-12-6-4-5-9-15(12)17-11-13/h1-11H,(H,18,19)
InChI Key:
JQFIWELAGHWNIN-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc2c(c1)cccc2)Oc1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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