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Home > Pyridines > 477885-88-4
477885-88-4 | 2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]pyridine-3-carboxamide
CAS No: 477885-88-4 Catalog No: AG00IOWG MDL No:MFCD00794309
Product Description
Catalog Number:
AG00IOWG
Chemical Name:
2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]pyridine-3-carboxamide
CAS Number:
477885-88-4
Molecular Formula:
C13H11ClN2O5
Molecular Weight:
310.6898
MDL Number:
MFCD00794309
IUPAC Name:
2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C13H11ClN2O5/c1-13(2)20-11(18)8(12(19)21-13)6-16-10(17)7-4-3-5-15-9(7)14/h3-6H,1-2H3,(H,16,17)
InChI Key:
SUEQWVAFBCPSDF-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Cl)NC=C1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.69g/mol
Monoisotopic Mass:
310.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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