ethyl 4-bromo-5-chloro-1H-1,3-benzodiazole-2-carboxylate

ethyl 4-bromo-5-chloro-1H-1,3-benzodiazole-2-carboxylate

CAS: 2250023-38-0

Formula: C10H8BrClN2O2

SMILES: CCOC(=O)C1=NC2=C(Br)C(Cl)=CC=C2N1

IUPAC: ethyl 4-bromo-5-chloro-1H-1,3-benzodiazole-2-carboxylate

InChI: InChI=1S/C10H8BrClN2O2/c1-2-16-10(15)9-13-6-4-3-5(12)7(11)8(6)14-9/h3-4H,2H2,1H3,(H,13,14)

Composition: C (39.57%), H (2.66%), Br (26.32%), Cl (11.68%), N (9.23%), O (10.54%)

Molar Mass: 303.54

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.945768
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PPGXAMHHSYQKIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.65
Topological Polar Surface Area	54.98
Polarizability	25.71
Ring Count	2
Rotatable Bond Count	3

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