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10075-49-7 | 1H-Indole, 5-bromo-1,3-dimethyl-
CAS No: 10075-49-7 Catalog No: AG0002SH MDL No:MFCD21988755
Product Description
Catalog Number:
AG0002SH
Chemical Name:
1H-Indole, 5-bromo-1,3-dimethyl-
CAS Number:
10075-49-7
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD21988755
IUPAC Name:
5-bromo-1,3-dimethylindole
InChI:
InChI=1S/C10H10BrN/c1-7-6-12(2)10-4-3-8(11)5-9(7)10/h3-6H,1-2H3
InChI Key:
QVWBXPVEGYLTRQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)cn2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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