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1017046-27-3 | 5-Benzoxazolamine, 2-(1,1-dimethylethyl)-
CAS No: 1017046-27-3 Catalog No: AG00059G MDL No:MFCD09947725
Product Description
Catalog Number:
AG00059G
Chemical Name:
5-Benzoxazolamine, 2-(1,1-dimethylethyl)-
CAS Number:
1017046-27-3
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD09947725
IUPAC Name:
2-tert-butyl-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C11H14N2O/c1-11(2,3)10-13-8-6-7(12)4-5-9(8)14-10/h4-6H,12H2,1-3H3
InChI Key:
YAIJJYNDSHDPIB-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(o2)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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