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41373-36-8 | 3-(Benzo[d]oxazol-2-yl);aniline
CAS No: 41373-36-8 Catalog No: AG00723Y MDL No:MFCD00579110
Product Description
Catalog Number:
AG00723Y
Chemical Name:
3-(Benzo[d]oxazol-2-yl);aniline
CAS Number:
41373-36-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD00579110
IUPAC Name:
3-(1,3-benzoxazol-2-yl)aniline
InChI:
InChI=1S/C13H10N2O/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
InChI Key:
WHVJDKRJPAKQIO-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nc2c(o1)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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