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methyl 6-bromo-1H-indole-2-carboxylate

methyl 6-bromo-1H-indole-2-carboxylate

CAS: 372089-59-3

Formula: C10H8BrNO2

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

IUPAC: methyl 6-bromo-1H-indole-2-carboxylate

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