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10075-48-6 | 1H-Indole, 5-bromo-3-methyl-
CAS No: 10075-48-6 Catalog No: AG0002SI MDL No:MFCD04038746
Product Description
Catalog Number:
AG0002SI
Chemical Name:
1H-Indole, 5-bromo-3-methyl-
CAS Number:
10075-48-6
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD04038746
IUPAC Name:
5-bromo-3-methyl-1H-indole
InChI:
InChI=1S/C9H8BrN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChI Key:
GDQXDVJFMLNXHX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)c[nH]2
NSC Number:
79234
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:
3.3
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