Home Other Building Blocks 1-[3-(1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one

1-[3-(1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one

CAS No.:
85862-97-1
Catalog Number:
AG01BB1R
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
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Product Description
Catalog Number:
AG01BB1R
Chemical Name:
1-[3-(1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one
CAS Number:
85862-97-1
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD27964309
IUPAC Name:
1-[3-(triazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C10H9N3O/c1-8(14)9-3-2-4-10(7-9)13-6-5-11-12-13/h2-7H,1H3
InChI Key:
AEDNPNIFSJCYBF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)n1nncc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties