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4-(chloromethyl)-5-methyl-2-(4-nitrophenyl)-1,3-oxazole

4-(chloromethyl)-5-methyl-2-(4-nitrophenyl)-1,3-oxazole

CAS: 907200-67-3

Formula: C11H9ClN2O3

SMILES: CC1=C(CCl)N=C(O1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-(chloromethyl)-5-methyl-2-(4-nitrophenyl)-1,3-oxazole

InChI: InChI=1S/C11H9ClN2O3/c1-7-10(6-12)13-11(17-7)8-2-4-9(5-3-8)14(15)16/h2-5H,6H2,1H3

Composition: C (52.29%), H (3.59%), Cl (14.03%), N (11.09%), O (19.00%)

Molar Mass: 252.65

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.0301699
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HNRFLLNBOLECJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.68
Topological Polar Surface Area 69.17
Polarizability 23.94
Ring Count 2
Rotatable Bond Count 3

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