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Home > Aldehydes > 876316-30-2
876316-30-2 | Benzaldehyde,3-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 876316-30-2 Catalog No: AG008ECZ MDL No:MFCD08271928
Product Description
Catalog Number:
AG008ECZ
Chemical Name:
Benzaldehyde,3-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
876316-30-2
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD08271928
IUPAC Name:
3-(1,2,4-triazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C10H9N3O/c14-6-10-3-1-2-9(4-10)5-13-8-11-7-12-13/h1-4,6-8H,5H2
InChI Key:
IBVURYHFXBPNCW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Cn1cncn1
Properties
Complexity:
198
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:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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