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139219-57-1 | 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propen-1-yl)-
CAS No: 139219-57-1 Catalog No: AG001AHU MDL No:
Product Description
Catalog Number:
AG001AHU
Chemical Name:
2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propen-1-yl)-
CAS Number:
139219-57-1
Molecular Formula:
C10H13Cl2NO3
Molecular Weight:
266.1211
IUPAC Name:
3-amino-2,5-dichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
InChI:
InChI=1S/C10H13Cl2NO3/c1-4-5-9(12)8(14)6(11)7(13)10(9,15-2)16-3/h4H,1,5,13H2,2-3H3
InChI Key:
YXLOQWDRMYYQLS-UHFFFAOYSA-N
SMILES:
C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)N)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.118g/mol
Monoisotopic Mass:
265.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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