Home Halogens 1-[2-chloro-4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol

1-[2-chloro-4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol

CAS No.:
1343597-11-4
Catalog Number:
AG01A0IO
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
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Product Description
Catalog Number:
AG01A0IO
Chemical Name:
1-[2-chloro-4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol
CAS Number:
1343597-11-4
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
MDL Number:
MFCD20297170
IUPAC Name:
1-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethanol
InChI:
InChI=1S/C10H10ClN3O/c1-7(15)9-3-2-8(4-10(9)11)14-6-12-5-13-14/h2-7,15H,1H3
InChI Key:
WHZYVSKVEUOIND-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1Cl)n1cncn1)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties