Home Halogens methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate

methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate

CAS No.:
2044871-06-7
Catalog Number:
AG01C5DE
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
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Product Description
Catalog Number:
AG01C5DE
Chemical Name:
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CAS Number:
2044871-06-7
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD30476088
IUPAC Name:
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C7H8ClNO3/c1-4(8)6-9-5(3-12-6)7(10)11-2/h3-4H,1-2H3
InChI Key:
BEMAPYWURFOIHP-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(n1)C(Cl)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties