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7595-50-8 | METHYL 4,4-DICHLORO-2-PIPERAZIN-1-YL-BUT-3-ENOATE
CAS No: 7595-50-8 Catalog No: AG005GZB MDL No:
Product Description
Catalog Number:
AG005GZB
Chemical Name:
METHYL 4,4-DICHLORO-2-PIPERAZIN-1-YL-BUT-3-ENOATE
CAS Number:
7595-50-8
Molecular Formula:
C9H14Cl2N2O2
Molecular Weight:
253.1257
IUPAC Name:
methyl 4,4-dichloro-2-piperazin-1-ylbut-3-enoate
InChI:
InChI=1S/C9H14Cl2N2O2/c1-15-9(14)7(6-8(10)11)13-4-2-12-3-5-13/h6-7,12H,2-5H2,1H3
InChI Key:
MWXDNQFGGIYWOB-UHFFFAOYSA-N
SMILES:
COC(=O)C(N1CCNCC1)C=C(Cl)Cl
NSC Number:
404874
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.123g/mol
Monoisotopic Mass:
252.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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