Home Halogens 2-chloro-3-methylbutanoic acid

2-chloro-3-methylbutanoic acid

CAS No.:
921-08-4
Catalog Number:
AG019VT8
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
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Product Description
Catalog Number:
AG019VT8
Chemical Name:
2-chloro-3-methylbutanoic acid
CAS Number:
921-08-4
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD08693474
IUPAC Name:
2-chloro-3-methylbutanoic acid
InChI:
InChI=1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChI Key:
DDTJFSPKEIAZAM-UHFFFAOYSA-N
SMILES:
ClC(C(=O)O)C(C)C
NSC Number:
227889
Properties
Complexity:
90.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties