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180623-89-6 | 1H-Indole, 5-bromo-7-chloro-
CAS No: 180623-89-6 Catalog No: AG00226H MDL No:MFCD03094978
Product Description
Catalog Number:
AG00226H
Chemical Name:
1H-Indole, 5-bromo-7-chloro-
CAS Number:
180623-89-6
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD03094978
IUPAC Name:
5-bromo-7-chloro-1H-indole
InChI:
InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChI Key:
NBSOYBSYOOJMPE-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c2c(c1)cc[nH]2
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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