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475039-81-7 | 4-Bromo-3-methyl-1H-indole
CAS No: 475039-81-7 Catalog No: AG003KYG MDL No:MFCD15144591
Product Description
Catalog Number:
AG003KYG
Chemical Name:
4-Bromo-3-methyl-1H-indole
CAS Number:
475039-81-7
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD15144591
IUPAC Name:
4-bromo-3-methyl-1H-indole
InChI:
InChI=1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChI Key:
HQYNWUZMWCHKGJ-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c2c1c(Br)ccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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