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1016776-39-8 | 5-Benzoxazolamine, 2-(1-methylethyl)-
CAS No: 1016776-39-8 Catalog No: AG000571 MDL No:MFCD09934235
Product Description
Catalog Number:
AG000571
Chemical Name:
5-Benzoxazolamine, 2-(1-methylethyl)-
CAS Number:
1016776-39-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09934235
IUPAC Name:
2-propan-2-yl-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C10H12N2O/c1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,11H2,1-2H3
InChI Key:
WFRDNWDYUJHLHA-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(o2)C(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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