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245072-83-7 | Propanoic acid, 3-chloro-2,2-dimethyl-, 4-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenyl ester
CAS No: 245072-83-7 Catalog No: AG002ODC MDL No:
Product Description
Catalog Number:
AG002ODC
Chemical Name:
Propanoic acid, 3-chloro-2,2-dimethyl-, 4-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenyl ester
CAS Number:
245072-83-7
Molecular Formula:
C15H15ClN2O4
Molecular Weight:
322.7436
IUPAC Name:
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 3-chloro-2,2-dimethylpropanoate
InChI:
InChI=1S/C15H15ClN2O4/c1-15(2,8-16)13(20)22-10-5-3-9(4-6-10)7-11-12(19)18-14(21)17-11/h3-7H,8H2,1-2H3,(H2,17,18,19,21)
InChI Key:
MAEGLESFZMJTSQ-UHFFFAOYSA-N
SMILES:
ClCC(C(=O)Oc1ccc(cc1)C=C1NC(=O)NC1=O)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.745g/mol
Monoisotopic Mass:
322.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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