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Home Aldehydes 5-cyclopropyl-1-phenyl-1H-1,2,3-triazole-4-carbaldehyde

5-cyclopropyl-1-phenyl-1H-1,2,3-triazole-4-carbaldehyde

CAS No.:
1267438-94-7
Catalog Number:
AG01B222
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
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Product Description
Catalog Number:
AG01B222
Chemical Name:
5-cyclopropyl-1-phenyl-1H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1267438-94-7
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD19268778
IUPAC Name:
5-cyclopropyl-1-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C12H11N3O/c16-8-11-12(9-6-7-9)15(14-13-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChI Key:
GINPCOVPHRPCIK-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1C1CC1)c1ccccc1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties