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10102-94-0 | 1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-
CAS No: 10102-94-0 Catalog No: AG0003KW MDL No:MFCD03906373
Product Description
Catalog Number:
AG0003KW
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-
CAS Number:
10102-94-0
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD03906373
IUPAC Name:
5-bromo-1-methylindole-3-carbaldehyde
InChI:
InChI=1S/C10H8BrNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChI Key:
NZJJLQUTQOICBN-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(Br)cc2)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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