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Home > Aldehydes > 800400-47-9
800400-47-9 | 1H-Indole-3-carboxaldehyde,2,5,6-trichloro-
CAS No: 800400-47-9 Catalog No: AG008NPK MDL No:MFCD09038028
Product Description
Catalog Number:
AG008NPK
Chemical Name:
1H-Indole-3-carboxaldehyde,2,5,6-trichloro-
CAS Number:
800400-47-9
Molecular Formula:
C9H4Cl3NO
Molecular Weight:
248.4932
MDL Number:
MFCD09038028
IUPAC Name:
2,5,6-trichloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H
InChI Key:
JHNMIGWYZMQLOQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)[nH]c2c1cc(Cl)c(c2)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.936g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.487g/mol
Monoisotopic Mass:
246.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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