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1247001-61-1 | 1,2-Ethanediol, 1-[1-(phenylmethyl)-1H-indazol-6-yl]-, (1S)-
CAS No: 1247001-61-1 Catalog No: AG000MNG MDL No:
Product Description
Catalog Number:
AG000MNG
Chemical Name:
1,2-Ethanediol, 1-[1-(phenylmethyl)-1H-indazol-6-yl]-, (1S)-
CAS Number:
1247001-61-1
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
(1S)-1-(1-benzylindazol-6-yl)ethane-1,2-diol
InChI:
InChI=1S/C16H16N2O2/c19-11-16(20)13-6-7-14-9-17-18(15(14)8-13)10-12-4-2-1-3-5-12/h1-9,16,19-20H,10-11H2/t16-/m1/s1
InChI Key:
LHGBMYWQZPPPHV-MRXNPFEDSA-N
SMILES:
OC[C@H](c1ccc2c(c1)n(nc2)Cc1ccccc1)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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