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156312-10-6 | 9H-Pyrido[3,4-b]indole, 7,8-dichloro-9-methyl-
CAS No: 156312-10-6 Catalog No: AG001OOP MDL No:
Product Description
Catalog Number:
AG001OOP
Chemical Name:
9H-Pyrido[3,4-b]indole, 7,8-dichloro-9-methyl-
CAS Number:
156312-10-6
Molecular Formula:
C12H8Cl2N2
Molecular Weight:
251.1113
IUPAC Name:
7,8-dichloro-9-methylpyrido[3,4-b]indole
InChI:
InChI=1S/C12H8Cl2N2/c1-16-10-6-15-5-4-7(10)8-2-3-9(13)11(14)12(8)16/h2-6H,1H3
InChI Key:
XGTYSLIGRKUXED-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1Cl)n(C)c1c2ccnc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.11g/mol
Monoisotopic Mass:
250.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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