3-bromo-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-1-one

3-bromo-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-1-one

CAS: 1134334-75-0

Formula: C13H14BrNO

SMILES: CC(CBr)C(=O)C1=C(C)NC2=CC=CC=C12

IUPAC: 3-bromo-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-1-one

InChI: InChI=1/C13H14BrNO/c1-8(7-14)13(16)12-9(2)15-11-6-4-3-5-10(11)12/h3-6,8,15H,7H2,1-2H3

Composition: C (55.73%), H (5.04%), Br (28.52%), N (5.00%), O (5.71%)

Molar Mass: 280.165

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	279.025877
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JRDQGDOFMHHYBI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.71
Topological Polar Surface Area	32.86
Polarizability	27.3
Ring Count	2
Rotatable Bond Count	3

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