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87477-39-2 | 1,2-Propanediol, 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-
CAS No: 87477-39-2 Catalog No: AG004I6W MDL No:
Product Description
Catalog Number:
AG004I6W
Chemical Name:
1,2-Propanediol, 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-
CAS Number:
87477-39-2
Molecular Formula:
C11H11Cl2N3O2
Molecular Weight:
288.1299
IUPAC Name:
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
InChI:
InChI=1S/C11H11Cl2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
InChI Key:
VYYGZEDTRYICOV-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.128g/mol
Monoisotopic Mass:
287.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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