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680613-14-3

680613-14-3 | Phenol, 4-[7-chloro-1-(phenylmethyl)-1H-indazol-3-yl]-

CAS No: 680613-14-3 Catalog No: AG006G3H MDL No:

Product Description

Catalog Number:
AG006G3H
Chemical Name:
Phenol, 4-[7-chloro-1-(phenylmethyl)-1H-indazol-3-yl]-
CAS Number:
680613-14-3
Molecular Formula:
C20H15ClN2O
Molecular Weight:
334.7989
IUPAC Name:
4-(1-benzyl-7-chloroindazol-3-yl)phenol
InChI:
InChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChI Key:
DPRKSCQCEZRMAF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nn(c2c1cccc2Cl)Cc1ccccc1

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.087g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.803g/mol
Monoisotopic Mass:
334.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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