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116044-83-8 | Phosphinic acid, (2-benzoxazolylmethyl)(1,1-dimethylethyl)-, ethyl ester (9CI)
CAS No: 116044-83-8 Catalog No: AG000BGP MDL No:
Product Description
Catalog Number:
AG000BGP
Chemical Name:
Phosphinic acid, (2-benzoxazolylmethyl)(1,1-dimethylethyl)-, ethyl ester (9CI)
CAS Number:
116044-83-8
Molecular Formula:
C14H20NO3P
Molecular Weight:
281.2873
IUPAC Name:
2-[[tert-butyl(ethoxy)phosphoryl]methyl]-1,3-benzoxazole
InChI:
InChI=1S/C14H20NO3P/c1-5-17-19(16,14(2,3)4)10-13-15-11-8-6-7-9-12(11)18-13/h6-9H,5,10H2,1-4H3
InChI Key:
BQGAHIHSAAZDCP-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C)(C)C)Cc1nc2c(o1)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.292g/mol
Monoisotopic Mass:
281.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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