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13097-02-4 | 1H-Indazole, 4-chloro-3-phenyl-
CAS No: 13097-02-4 Catalog No: AG000V7A MDL No:MFCD13176961
Product Description
Catalog Number:
AG000V7A
Chemical Name:
1H-Indazole, 4-chloro-3-phenyl-
CAS Number:
13097-02-4
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD13176961
IUPAC Name:
4-chloro-3-phenyl-1H-indazole
InChI:
InChI=1S/C13H9ClN2/c14-10-7-4-8-11-12(10)13(16-15-11)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChI Key:
PMPBCDZBRDFBQE-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1c(n[nH]2)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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