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41886-28-6 | 2-(3-chlorophenyl)-2H-1,2,3-triazole-4-carbaldehyde
CAS No: 41886-28-6 Catalog No: AG019UYD MDL No:MFCD11169402
Product Description
Catalog Number:
AG019UYD
Chemical Name:
2-(3-chlorophenyl)-2H-1,2,3-triazole-4-carbaldehyde
CAS Number:
41886-28-6
Molecular Formula:
C9H6ClN3O
Molecular Weight:
207.6164
MDL Number:
MFCD11169402
IUPAC Name:
2-(3-chlorophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H6ClN3O/c10-7-2-1-3-9(4-7)13-11-5-8(6-14)12-13/h1-6H
InChI Key:
IWSSXGKTDMPCHE-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(n1)c1cccc(c1)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.617g/mol
Monoisotopic Mass:
207.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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