Home Halogens methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate

methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate

CAS No.:
1027781-88-9
Catalog Number:
AG01AHDF
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
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Product Description
Catalog Number:
AG01AHDF
Chemical Name:
methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate
CAS Number:
1027781-88-9
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
MDL Number:
MFCD20547602
IUPAC Name:
methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H6ClNO3/c1-10-6(9)4-3-8-11-5(4)2-7/h3H,2H2,1H3
InChI Key:
YRJZWFGFKOUKJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnoc1CCl
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.568g/mol
Monoisotopic Mass:
175.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties