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72965-47-0 | N-CYCLOPROPYL-2-THIOXO-1,2-DIHYDROQUINOLINE-4-CARBOXAMIDE
CAS No: 72965-47-0 Catalog No: AG00FC5W MDL No:MFCD08444458
Product Description
Catalog Number:
AG00FC5W
Chemical Name:
N-CYCLOPROPYL-2-THIOXO-1,2-DIHYDROQUINOLINE-4-CARBOXAMIDE
CAS Number:
72965-47-0
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
MDL Number:
MFCD08444458
IUPAC Name:
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
InChI:
InChI=1S/C9H9ClN2O2/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13)
InChI Key:
QREPPBBMIDFWEQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1oc(c(c1C#N)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.633g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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