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17952-83-9

17952-83-9 | 1H-Pyrido[3,4-b]indol-1-one, 6-chloro-2,3,4,9-tetrahydro-

CAS No: 17952-83-9 Catalog No: AG00272R MDL No:MFCD00022203

Product Description

Catalog Number:
AG00272R
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 6-chloro-2,3,4,9-tetrahydro-
CAS Number:
17952-83-9
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD00022203
IUPAC Name:
6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C11H9ClN2O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,14H,3-4H2,(H,13,15)
InChI Key:
LEAGCIWJKRFYRT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1CCNC(=O)c1[nH]2
EC Number:
241-879-2

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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