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2090264-28-9 | 5-chloro-2-methyl-1-(propan-2-yl)-1H-indole-3-carbaldehyde
CAS No: 2090264-28-9 Catalog No: AG01BSHM MDL No:MFCD30538298
Product Description
Catalog Number:
AG01BSHM
Chemical Name:
5-chloro-2-methyl-1-(propan-2-yl)-1H-indole-3-carbaldehyde
CAS Number:
2090264-28-9
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
MDL Number:
MFCD30538298
IUPAC Name:
5-chloro-2-methyl-1-propan-2-ylindole-3-carbaldehyde
InChI:
InChI=1S/C13H14ClNO/c1-8(2)15-9(3)12(7-16)11-6-10(14)4-5-13(11)15/h4-8H,1-3H3
InChI Key:
NSIXEXNDYCXYFR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c2c1cc(Cl)cc2)C(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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