3-(5-bromo-1H-indol-3-yl)prop-2-enoic acid

3-(5-bromo-1H-indol-3-yl)prop-2-enoic acid

CAS: 773129-17-2

Formula: C11H8BrNO2

SMILES: OC(=O)C=CC1=CNC2=CC=C(Br)C=C12

IUPAC: 3-(5-bromo-1H-indol-3-yl)prop-2-enoic acid

InChI: InChI=1S/C11H8BrNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h1-6,13H,(H,14,15)

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.973842
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VEZZTLSINAKFJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.77
Topological Polar Surface Area	53.09
Polarizability	24.06
Ring Count	2
Rotatable Bond Count	2

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