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(2-chloro-1H-1,3-benzodiazol-5-yl)methanol

(2-chloro-1H-1,3-benzodiazol-5-yl)methanol

CAS: 857070-66-7

Formula: C8H7ClN2O

SMILES: OCC1=CC=C2NC(Cl)=NC2=C1

IUPAC: (2-chloro-1H-1,3-benzodiazol-5-yl)methanol

InChI: InChI=1S/C8H7ClN2O/c9-8-10-6-2-1-5(4-12)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)

Composition: C (52.62%), H (3.86%), Cl (19.41%), N (15.34%), O (8.76%)

Molar Mass: 182.61

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 182.0246906
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VIZZPVUEIUQVQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.81
Topological Polar Surface Area 48.91
Polarizability 19.05
Ring Count 2
Rotatable Bond Count 1

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