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110912-15-7 | 3-CHLORO-1H-INDOLE-2-CARBALDEHYDE
CAS No: 110912-15-7 Catalog No: AG007U3B MDL No:MFCD03828574
Product Description
Catalog Number:
AG007U3B
Chemical Name:
3-CHLORO-1H-INDOLE-2-CARBALDEHYDE
CAS Number:
110912-15-7
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD03828574
IUPAC Name:
3-chloro-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-9-6-3-1-2-4-7(6)11-8(9)5-12/h1-5,11H
InChI Key:
IHPBJLYJOIUBDY-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1Cl)cccc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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