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89271-20-5 | 2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(trifluoromethyl)-
CAS No: 89271-20-5 Catalog No: AG0041C1 MDL No:
Product Description
Catalog Number:
AG0041C1
Chemical Name:
2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(trifluoromethyl)-
CAS Number:
89271-20-5
Molecular Formula:
C6H6Cl2F3NO
Molecular Weight:
236.0191
IUPAC Name:
3-chloro-4-(chloromethyl)-1-(trifluoromethyl)pyrrolidin-2-one
InChI:
InChI=1S/C6H6Cl2F3NO/c7-1-3-2-12(6(9,10)11)5(13)4(3)8/h3-4H,1-2H2
InChI Key:
NVGAIRUMTXZLMZ-UHFFFAOYSA-N
SMILES:
ClCC1CN(C(=O)C1Cl)C(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.978g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.015g/mol
Monoisotopic Mass:
234.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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