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1192019-07-0 | Benzoxazole, 2-(3-chloro-4-pyridinyl)-5-(1,1-dimethylethyl)-
CAS No: 1192019-07-0 Catalog No: AG000ID6 MDL No:
Product Description
Catalog Number:
AG000ID6
Chemical Name:
Benzoxazole, 2-(3-chloro-4-pyridinyl)-5-(1,1-dimethylethyl)-
CAS Number:
1192019-07-0
Molecular Formula:
C16H15ClN2O
Molecular Weight:
286.7561
IUPAC Name:
5-tert-butyl-2-(3-chloropyridin-4-yl)-1,3-benzoxazole
InChI:
InChI=1S/C16H15ClN2O/c1-16(2,3)10-4-5-14-13(8-10)19-15(20-14)11-6-7-18-9-12(11)17/h4-9H,1-3H3
InChI Key:
FQNADBSZMHBUPM-UHFFFAOYSA-N
SMILES:
Clc1cnccc1c1nc2c(o1)ccc(c2)C(C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.759g/mol
Monoisotopic Mass:
286.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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