5-bromo-2-methyl-1H-1,3-benzodiazole

5-bromo-2-methyl-1H-1,3-benzodiazole

CAS: 1964-77-8

Formula: C8H7BrN2

SMILES: CC1=NC2=CC(Br)=CC=C2N1

IUPAC: 5-bromo-2-methyl-1H-1,3-benzodiazole

InChI: InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)

Composition: C (45.53%), H (3.34%), Br (37.86%), N (13.27%)

Molar Mass: 211.062

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	209.979261
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FHDFUQGJYYGLHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.03
Topological Polar Surface Area	28.68
Polarizability	19.12
Ring Count	2
Rotatable Bond Count	0

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