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625850-72-8 | 7-Benzoxazolepropanenitrile,2-ethyl-(9CI)
CAS No: 625850-72-8 Catalog No: AG00EOQJ MDL No:
Product Description
Catalog Number:
AG00EOQJ
Chemical Name:
7-Benzoxazolepropanenitrile,2-ethyl-(9CI)
CAS Number:
625850-72-8
IUPAC Name:
3-(2-ethyl-1,3-benzoxazol-7-yl)propanenitrile
InChI:
InChI=1S/C12H12N2O/c1-2-11-14-10-7-3-5-9(6-4-8-13)12(10)15-11/h3,5,7H,2,4,6H2,1H3
InChI Key:
RHAPWRFHVCLING-UHFFFAOYSA-N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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