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100060-02-4 | Benzenamine, 4-(2,4-dimethyl-5-oxazolyl)-
CAS No: 100060-02-4 Catalog No: AG0000SE MDL No:
Product Description
Catalog Number:
AG0000SE
Chemical Name:
Benzenamine, 4-(2,4-dimethyl-5-oxazolyl)-
CAS Number:
100060-02-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
4-(2,4-dimethyl-1,3-oxazol-5-yl)aniline
InChI:
InChI=1S/C11H12N2O/c1-7-11(14-8(2)13-7)9-3-5-10(12)6-4-9/h3-6H,12H2,1-2H3
InChI Key:
WHYKZBUOYFFDID-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1oc(nc1C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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