4-bromo-1,3-benzothiazole

4-bromo-1,3-benzothiazole

CAS: 767-68-0

Formula: C7H4BrNS

SMILES: BrC1=C2N=CSC2=CC=C1

IUPAC: 4-bromo-1,3-benzothiazole

InChI: InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H

Composition: C (39.27%), H (1.88%), Br (37.32%), N (6.54%), S (14.98%)

Molar Mass: 214.08

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.924783
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SXZKODVCLOIJGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.75
Topological Polar Surface Area	12.89
Polarizability	18.39
Ring Count	2
Rotatable Bond Count	0

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