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73112-03-5 | 1H-1,2,3-Triazole-4-carboxaldehyde, 5-amino-1-phenyl-
CAS No: 73112-03-5 Catalog No: AG005M5O MDL No:
Product Description
Catalog Number:
AG005M5O
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 5-amino-1-phenyl-
CAS Number:
73112-03-5
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
IUPAC Name:
5-amino-1-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C9H8N4O/c10-9-8(6-14)11-12-13(9)7-4-2-1-3-5-7/h1-6H,10H2
InChI Key:
BXMHXYMMIBGFRT-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1N)c1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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