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122531-09-3 | 1H-Indole, 5-bromo-6-chloro-
CAS No: 122531-09-3 Catalog No: AG0017E2 MDL No:MFCD11848566
Product Description
Catalog Number:
AG0017E2
Chemical Name:
1H-Indole, 5-bromo-6-chloro-
CAS Number:
122531-09-3
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD11848566
IUPAC Name:
5-bromo-6-chloro-1H-indole
InChI:
InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:
SMZUROGBNBCCPT-UHFFFAOYSA-N
SMILES:
Brc1cc2cc[nH]c2cc1Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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