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17826-09-4 | 1H-Indole-3-carboxaldehyde, 5-bromo-2-methyl-
CAS No: 17826-09-4 Catalog No: AG0025W5 MDL No:
Product Description
Catalog Number:
AG0025W5
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-bromo-2-methyl-
CAS Number:
17826-09-4
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
IUPAC Name:
5-bromo-2-methyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H8BrNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChI Key:
VRSRWYBZDMNUAK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)[nH]c2c1cc(Br)cc2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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