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4-chloro-2-(chloromethyl)-1,3-benzoxazole

4-chloro-2-(chloromethyl)-1,3-benzoxazole

CAS: 143708-34-3

Formula: C8H5Cl2NO

SMILES: ClCC1=NC2=C(Cl)C=CC=C2O1

IUPAC: 4-chloro-2-(chloromethyl)-1,3-benzoxazole

InChI: InChI=1S/C8H5Cl2NO/c9-4-7-11-8-5(10)2-1-3-6(8)12-7/h1-3H,4H2

Composition: C (47.56%), H (2.49%), Cl (35.09%), N (6.93%), O (7.92%)

Molar Mass: 202.03

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 200.9748192
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GCQOLXQHWAPRGY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.72
Topological Polar Surface Area 26.03
Polarizability 19.41
Ring Count 2
Rotatable Bond Count 1

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