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62882-11-5 | 4-(OXAZOL-2-YL)BENZENAMINE
CAS No: 62882-11-5 Catalog No: AG00EBNM MDL No:MFCD11040381
Product Description
Catalog Number:
AG00EBNM
Chemical Name:
4-(OXAZOL-2-YL)BENZENAMINE
CAS Number:
62882-11-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11040381
IUPAC Name:
4-(1,3-oxazol-2-yl)aniline
InChI:
InChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2
InChI Key:
SLLOVNWUCAZDJC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ncco1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| N-{2-[(4S)-4-tert-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phen-yl}-5,6-diphenyl-1,2,4-triazin-3-amine. | Acta crystallographica. Section E, Structure reports online 20110301 |
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