2-bromo-1,3-benzothiazole-6-carbaldehyde

2-bromo-1,3-benzothiazole-6-carbaldehyde

CAS: 1025452-30-5

Formula: C8H4BrNOS

SMILES: BrC1=NC2=CC=C(C=O)C=C2S1

IUPAC: 2-bromo-1,3-benzothiazole-6-carbaldehyde

InChI: InChI=1S/C8H4BrNOS/c9-8-10-6-2-1-5(4-11)3-7(6)12-8/h1-4H

Composition: C (39.69%), H (1.67%), Br (33.01%), N (5.79%), O (6.61%), S (13.24%)

Molar Mass: 242.09

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.919698
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KRMBMPJIMPGDTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.34
Topological Polar Surface Area	29.96
Polarizability	20.44
Ring Count	2
Rotatable Bond Count	1

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