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104029-89-2 | 2-Benzoxazolemethanol, a-phenyl-, methylcarbamate (ester)(9CI)
CAS No: 104029-89-2 Catalog No: AG00855E MDL No:
Product Description
Catalog Number:
AG00855E
Chemical Name:
2-Benzoxazolemethanol, a-phenyl-, methylcarbamate (ester)(9CI)
CAS Number:
104029-89-2
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
[1,3-benzoxazol-2-yl(phenyl)methyl] N-methylcarbamate
InChI:
InChI=1S/C16H14N2O3/c1-17-16(19)21-14(11-7-3-2-4-8-11)15-18-12-9-5-6-10-13(12)20-15/h2-10,14H,1H3,(H,17,19)
InChI Key:
UWFIECBJPGRCNW-UHFFFAOYSA-N
SMILES:
CNC(=O)OC(c1nc2c(o1)cccc2)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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