5-bromo-1-benzothiophene-2-carbaldehyde

5-bromo-1-benzothiophene-2-carbaldehyde

CAS: 7312-18-7

Formula: C9H5BrOS

SMILES: BrC1=CC=C2SC(C=O)=CC2=C1

IUPAC: 5-bromo-1-benzothiophene-2-carbaldehyde

InChI: InChI=1S/C9H5BrOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H

Composition: C (44.84%), H (2.09%), Br (33.14%), O (6.64%), S (13.30%)

Molar Mass: 241.1

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.924449
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JCWGQAINAKCVJX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.39
Topological Polar Surface Area	17.07
Polarizability	21.16
Ring Count	2
Rotatable Bond Count	1

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