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104167-14-8 | 2-Benzoxazolemethanol, a-(2,5-dimethylphenyl)-,methylcarbamate (ester) (9CI)
CAS No: 104167-14-8 Catalog No: AG0084UV MDL No:
Product Description
Catalog Number:
AG0084UV
Chemical Name:
2-Benzoxazolemethanol, a-(2,5-dimethylphenyl)-,methylcarbamate (ester) (9CI)
CAS Number:
104167-14-8
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
[1,3-benzoxazol-2-yl-(2,5-dimethylphenyl)methyl] N-methylcarbamate
InChI:
InChI=1S/C18H18N2O3/c1-11-8-9-12(2)13(10-11)16(23-18(21)19-3)17-20-14-6-4-5-7-15(14)22-17/h4-10,16H,1-3H3,(H,19,21)
InChI Key:
MPWNTTKMSWTRID-UHFFFAOYSA-N
SMILES:
CNC(=O)OC(c1cc(C)ccc1C)c1nc2c(o1)cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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