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

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

CAS: 857035-29-1

Formula: C10H9ClN2O2

SMILES: CCOC(=O)C1=CC=C2NC(Cl)=NC2=C1

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

InChI: InChI=1S/C10H9ClN2O2/c1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7/h3-5H,2H2,1H3,(H,12,13)

Composition: C (53.47%), H (4.04%), Cl (15.78%), N (12.47%), O (14.24%)

Molar Mass: 224.64

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.0352552
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LVIQNMQUZOMYAX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.77
Topological Polar Surface Area 54.98
Polarizability 22.87
Ring Count 2
Rotatable Bond Count 3

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