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832740-73-5

832740-73-5 | 4-(Isoxazol-5-yl)aniline

CAS No: 832740-73-5 Catalog No: AG0055X9 MDL No:MFCD04971151

Product Description

Catalog Number:
AG0055X9
Chemical Name:
4-(Isoxazol-5-yl)aniline
CAS Number:
832740-73-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD04971151
IUPAC Name:
4-(1,2-oxazol-5-yl)aniline
InChI:
InChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,10H2
InChI Key:
IDTUTYMFRUNOBW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ccno1

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  

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