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114041-35-9 | 9H-Carbazole-2-ethanol, 6-chloro-β,β-dimethoxy-α-methyl-
CAS No: 114041-35-9 Catalog No: AG000AD5 MDL No:
Product Description
Catalog Number:
AG000AD5
Chemical Name:
9H-Carbazole-2-ethanol, 6-chloro-β,β-dimethoxy-α-methyl-
CAS Number:
114041-35-9
Molecular Formula:
C17H18ClNO3
Molecular Weight:
319.7827
IUPAC Name:
1-(6-chloro-9H-carbazol-2-yl)-1,1-dimethoxypropan-2-ol
InChI:
InChI=1S/C17H18ClNO3/c1-10(20)17(21-2,22-3)11-4-6-13-14-9-12(18)5-7-15(14)19-16(13)8-11/h4-10,19-20H,1-3H3
InChI Key:
QTDQYWLFPXKKNK-UHFFFAOYSA-N
SMILES:
COC(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)(C(O)C)OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.785g/mol
Monoisotopic Mass:
319.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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