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89080-74-0 | 2-Pyrrolidinone, 1-(6-chloro-2,2-dimethyl-2H-1-benzopyran-4-yl)-
CAS No: 89080-74-0 Catalog No: AG0040BT MDL No:
Product Description
Catalog Number:
AG0040BT
Chemical Name:
2-Pyrrolidinone, 1-(6-chloro-2,2-dimethyl-2H-1-benzopyran-4-yl)-
CAS Number:
89080-74-0
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
IUPAC Name:
1-(6-chloro-2,2-dimethylchromen-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C15H16ClNO2/c1-15(2)9-12(17-7-3-4-14(17)18)11-8-10(16)5-6-13(11)19-15/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
YMVQHWSGKLBPAC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=CC(O2)(C)C)N1CCCC1=O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.748g/mol
Monoisotopic Mass:
277.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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