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114494-03-0 | 6-Benzoxazolamine, 2-(3-amino-2-methylphenyl)-
CAS No: 114494-03-0 Catalog No: AG000EJ6 MDL No:
Product Description
Catalog Number:
AG000EJ6
Chemical Name:
6-Benzoxazolamine, 2-(3-amino-2-methylphenyl)-
CAS Number:
114494-03-0
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
2-(3-amino-2-methylphenyl)-1,3-benzoxazol-6-amine
InChI:
InChI=1S/C14H13N3O/c1-8-10(3-2-4-11(8)16)14-17-12-6-5-9(15)7-13(12)18-14/h2-7H,15-16H2,1H3
InChI Key:
ASXSFIJJUPPIID-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)oc(n2)c1cccc(c1C)N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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