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158326-85-3 | 1H-Indole, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS No: 158326-85-3 Catalog No: AG001Q3X MDL No:MFCD11847807
Product Description
Catalog Number:
AG001Q3X
Chemical Name:
1H-Indole, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS Number:
158326-85-3
Molecular Formula:
C10H12BrN
Molecular Weight:
226.1130
MDL Number:
MFCD11847807
IUPAC Name:
6-bromo-3,3-dimethyl-1,2-dihydroindole
InChI:
InChI=1S/C10H12BrN/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6H2,1-2H3
InChI Key:
JSMUHVSOFKGJID-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NCC2(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.117g/mol
Monoisotopic Mass:
225.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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