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104030-02-6 | 2-Benzoxazolemethanol, a-(2-ethylphenyl)-,methylcarbamate (ester) (9CI)
CAS No: 104030-02-6 Catalog No: AG007F48 MDL No:
Product Description
Catalog Number:
AG007F48
Chemical Name:
2-Benzoxazolemethanol, a-(2-ethylphenyl)-,methylcarbamate (ester) (9CI)
CAS Number:
104030-02-6
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
[1,3-benzoxazol-2-yl-(2-ethylphenyl)methyl] N-methylcarbamate
InChI:
InChI=1S/C18H18N2O3/c1-3-12-8-4-5-9-13(12)16(23-18(21)19-2)17-20-14-10-6-7-11-15(14)22-17/h4-11,16H,3H2,1-2H3,(H,19,21)
InChI Key:
YFQGXHMBKHDNCY-UHFFFAOYSA-N
SMILES:
CNC(=O)OC(c1ccccc1CC)c1nc2c(o1)cccc2
Properties
Complexity:
404
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:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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