dimethyl-1,2-oxazole-4-carbonyl chloride

dimethyl-1,2-oxazole-4-carbonyl chloride

CAS: 31301-45-8

Formula: C6H6ClNO2

SMILES: CC1=C(C(Cl)=O)C(C)=NO1

IUPAC: dimethyl-1,2-oxazole-4-carbonyl chloride

InChI: InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)4(2)10-8-3/h1-2H3

Composition: C (45.16%), H (3.79%), Cl (22.22%), N (8.78%), O (20.05%)

Molar Mass: 159.57

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.0087061
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MPYGFFPGJMGVSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.36
Topological Polar Surface Area	43.1
Polarizability	13.75
Ring Count	1
Rotatable Bond Count	1

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