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832740-15-5 | 3-(Isoxazol-5-yl)aniline
CAS No: 832740-15-5 Catalog No: AG0055XA MDL No:MFCD05667181
Product Description
Catalog Number:
AG0055XA
Chemical Name:
3-(Isoxazol-5-yl)aniline
CAS Number:
832740-15-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD05667181
IUPAC Name:
3-(1,2-oxazol-5-yl)aniline
InChI:
InChI=1S/C9H8N2O/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2
InChI Key:
JBFVFIPIWPLRNB-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ccno1
Properties
Complexity:
152
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
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