200,000+ products from a single source!
sales@angenechem.com
83124-97-4 | 3-Buten-2-one, 1,1,1-trichloro-4-(1-pyrrolidinyl)-
CAS No: 83124-97-4 Catalog No: AG00510C MDL No:
Product Description
Catalog Number:
AG00510C
Chemical Name:
3-Buten-2-one, 1,1,1-trichloro-4-(1-pyrrolidinyl)-
CAS Number:
83124-97-4
Molecular Formula:
C8H10Cl3NO
Molecular Weight:
242.5301
IUPAC Name:
1,1,1-trichloro-4-pyrrolidin-1-ylbut-3-en-2-one
InChI:
InChI=1S/C8H10Cl3NO/c9-8(10,11)7(13)3-6-12-4-1-2-5-12/h3,6H,1-2,4-5H2
InChI Key:
YFGOHGUFUNMIAH-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)C=CN1CCCC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.524g/mol
Monoisotopic Mass:
240.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.