4-Oxazolecarboxylic acid, 2-(chloromethyl)-, methyl ester


Chemical Name: 4-Oxazolecarboxylic acid, 2-(chloromethyl)-, methyl ester
CAS Number: 208465-72-9
Product Number: AG002JPL(AGN-PC-0KKPCY)
Synonyms:
MDL No:
Molecular Formula: C6H6ClNO3
Molecular Weight: 175.5697

Identification/Properties


Computed Properties
Molecular Weight:
175.568g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
175.004g/mol
Monoisotopic Mass:
175.004g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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