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812676-46-3 | 1H-Benz[e]indol-5-ol, 1-(chloromethyl)-2,3-dihydro-3-phenyl-, (1S)-
CAS No: 812676-46-3 Catalog No: AG005EYB MDL No:
Product Description
Catalog Number:
AG005EYB
Chemical Name:
1H-Benz[e]indol-5-ol, 1-(chloromethyl)-2,3-dihydro-3-phenyl-, (1S)-
CAS Number:
812676-46-3
Molecular Formula:
C19H16ClNO
Molecular Weight:
309.7894
IUPAC Name:
(1S)-1-(chloromethyl)-3-phenyl-1,2-dihydrobenzo[e]indol-5-ol
InChI:
InChI=1S/C19H16ClNO/c20-11-13-12-21(14-6-2-1-3-7-14)17-10-18(22)15-8-4-5-9-16(15)19(13)17/h1-10,13,22H,11-12H2/t13-/m1/s1
InChI Key:
OKNGWVIYRSAWRF-CYBMUJFWSA-N
SMILES:
ClC[C@@H]1CN(c2c1c1ccccc1c(c2)O)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.793g/mol
Monoisotopic Mass:
309.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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