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Home > Aldehydes > 859850-94-5
859850-94-5 | Benzaldehyde,4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 859850-94-5 Catalog No: AG004M6H MDL No:MFCD07772868
Product Description
Catalog Number:
AG004M6H
Chemical Name:
Benzaldehyde,4-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
859850-94-5
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD07772868
IUPAC Name:
4-(1,2,4-triazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C10H9N3O/c14-6-10-3-1-9(2-4-10)5-13-8-11-7-12-13/h1-4,6-8H,5H2
InChI Key:
XEPIORKIFKJATD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Cn1ncnc1
Properties
Complexity:
190
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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