Home Halogens Butanoic acid, 4,4,4-trichloro-3-hydroxy-

Butanoic acid, 4,4,4-trichloro-3-hydroxy-

CAS No.:
13159-46-1
Catalog Number:
AG000ZGW
Molecular Formula:
C4H5Cl3O3
Molecular Weight:
207.4397
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Product Description
Catalog Number:
AG000ZGW
Chemical Name:
Butanoic acid, 4,4,4-trichloro-3-hydroxy-
CAS Number:
13159-46-1
Molecular Formula:
C4H5Cl3O3
Molecular Weight:
207.4397
MDL Number:
MFCD00033277
IUPAC Name:
4,4,4-trichloro-3-hydroxybutanoic acid
InChI:
InChI=1S/C4H5Cl3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
InChI Key:
PNRIZWCHOZUISE-UHFFFAOYSA-N
SMILES:
OC(C(Cl)(Cl)Cl)CC(=O)O
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.93g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.431g/mol
Monoisotopic Mass:
205.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties