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methyl 3-(1H-1,3-benzodiazol-2-yl)benzoate

methyl 3-(1H-1,3-benzodiazol-2-yl)benzoate

CAS: 421552-88-7

Formula: C15H12N2O2

SMILES: COC(=O)C1=CC(=CC=C1)C1=NC2=CC=CC=C2N1

IUPAC: methyl 3-(1H-1,3-benzodiazol-2-yl)benzoate

InChI: InChI=1S/C15H12N2O2/c1-19-15(18)11-6-4-5-10(9-11)14-16-12-7-2-3-8-13(12)17-14/h2-9H,1H3,(H,16,17)

Composition: C (71.42%), H (4.79%), N (11.10%), O (12.68%)

Molar Mass: 252.273

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 252.089877634
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SDZFFOAJFKWQMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.1
Topological Polar Surface Area 54.98
Polarizability 29.36
Ring Count 3
Rotatable Bond Count 3

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97% <14 Days 421552-88-7 $158.76-$238.14$158.76$238.14
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