methyl 7-bromo-1H-indole-2-carboxylate

methyl 7-bromo-1H-indole-2-carboxylate

CAS: 1158503-82-2

Formula: C10H8BrNO2

SMILES: COC(=O)C1=CC2=CC=CC(Br)=C2N1

IUPAC: methyl 7-bromo-1H-indole-2-carboxylate

InChI: InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,1H3

Composition: C (47.27%), H (3.17%), Br (31.45%), N (5.51%), O (12.59%)

Molar Mass: 254.083

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.973842
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	CVBRWYSFWORSON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.67
Topological Polar Surface Area	42.09
Polarizability	22.72
Ring Count	2
Rotatable Bond Count	2

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