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114216-38-5 | Carbamic acid, [4-[(4-isocyanatophenyl)methyl]phenyl]- (9CI)
CAS No: 114216-38-5 Catalog No: AG000ATR MDL No:
Product Description
Catalog Number:
AG000ATR
Chemical Name:
Carbamic acid, [4-[(4-isocyanatophenyl)methyl]phenyl]- (9CI)
CAS Number:
114216-38-5
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
[4-[(4-isocyanatophenyl)methyl]phenyl]carbamic acid
InChI:
InChI=1S/C15H12N2O3/c18-10-16-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)17-15(19)20/h1-8,17H,9H2,(H,19,20)
InChI Key:
PSZCZRHCUIZTOF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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