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13277-41-3 | 2,2-Azetidinedicarboxylic acid, 3-chloro-4-oxo-1-phenyl-, 2,2-diethyl ester
CAS No: 13277-41-3 Catalog No: AG00114J MDL No:
Product Description
Catalog Number:
AG00114J
Chemical Name:
2,2-Azetidinedicarboxylic acid, 3-chloro-4-oxo-1-phenyl-, 2,2-diethyl ester
CAS Number:
13277-41-3
Molecular Formula:
C15H16ClNO5
Molecular Weight:
325.7442
IUPAC Name:
diethyl 3-chloro-4-oxo-1-phenylazetidine-2,2-dicarboxylate
InChI:
InChI=1S/C15H16ClNO5/c1-3-21-13(19)15(14(20)22-4-2)11(16)12(18)17(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key:
DCDDZWCXKGHUFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C(=O)OCC)C(Cl)C(=O)N1c1ccccc1
NSC Number:
117498
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.745g/mol
Monoisotopic Mass:
325.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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