Home Halogens 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid

CAS No.:
1239758-91-8
Catalog Number:
AG01A8EP
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
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Product Description
Catalog Number:
AG01A8EP
Chemical Name:
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid
CAS Number:
1239758-91-8
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
MDL Number:
MFCD16547370
IUPAC Name:
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetic acid
InChI:
InChI=1S/C6H6ClNO3/c1-3-4(2-5(9)10)6(7)11-8-3/h2H2,1H3,(H,9,10)
InChI Key:
NQYMIIDHCSQYER-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Cl)onc1C
Properties
Complexity:
164  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
175.568g/mol
Monoisotopic Mass:
175.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties