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Home > Bromides > 1167056-53-2
1167056-53-2 | 1H-Indole, 4-bromo-5,7-dimethyl-
CAS No: 1167056-53-2 Catalog No: AG000D45 MDL No:MFCD11845612
Product Description
Catalog Number:
AG000D45
Chemical Name:
1H-Indole, 4-bromo-5,7-dimethyl-
CAS Number:
1167056-53-2
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD11845612
IUPAC Name:
4-bromo-5,7-dimethyl-1H-indole
InChI:
InChI=1S/C10H10BrN/c1-6-5-7(2)10-8(9(6)11)3-4-12-10/h3-5,12H,1-2H3
InChI Key:
WLPYFCJCFLFZKO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1Br)cc[nH]2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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