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1227564-00-2

1227564-00-2 | 1H-Indole-3-carboxaldehyde, 6,7-dichloro-

CAS No: 1227564-00-2 Catalog No: AG000JAA MDL No:

Product Description

Catalog Number:
AG000JAA
Chemical Name:
1H-Indole-3-carboxaldehyde, 6,7-dichloro-
CAS Number:
1227564-00-2
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
IUPAC Name:
6,7-dichloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5Cl2NO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H
InChI Key:
OTJCHOSZKRCMIB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2Cl)Cl

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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