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67329-11-7 | 3,3′-Dichloropivalic acid
CAS No: 67329-11-7 Catalog No: AG003IC9 MDL No:MFCD00004198
Product Description
Catalog Number:
AG003IC9
Chemical Name:
3,3′-Dichloropivalic acid
CAS Number:
67329-11-7
Molecular Formula:
C5H8Cl2O2
Molecular Weight:
171.0218
MDL Number:
MFCD00004198
IUPAC Name:
3-chloro-2-(chloromethyl)-2-methylpropanoic acid
InChI:
InChI=1S/C5H8Cl2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChI Key:
DDSPBKFTRPWDLI-UHFFFAOYSA-N
SMILES:
ClCC(C(=O)O)(CCl)C
EC Number:
266-644-1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.017g/mol
Monoisotopic Mass:
169.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Functionalized macrocycles from functionalized tetra-amines: pendent-arm macrocycles derived from dichloropivalic acid. | Inorganic chemistry 20040308 |
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