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89029-33-4 | 3-Cyclobutene-1,2-dione, 3-chloro-4-[methyl(2-methylphenyl)amino]-
CAS No: 89029-33-4 Catalog No: AG0042QQ MDL No:
Product Description
Catalog Number:
AG0042QQ
Chemical Name:
3-Cyclobutene-1,2-dione, 3-chloro-4-[methyl(2-methylphenyl)amino]-
CAS Number:
89029-33-4
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
3-chloro-4-(N,2-dimethylanilino)cyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C12H10ClNO2/c1-7-5-3-4-6-8(7)14(2)10-9(13)11(15)12(10)16/h3-6H,1-2H3
InChI Key:
WYCRMXSJGQGNNC-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C1=O)N(c1ccccc1C)C)Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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