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29236-13-3 | 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(2-methoxyphenyl)-
CAS No: 29236-13-3 Catalog No: AG002XSS MDL No:MFCD03030017
Product Description
Catalog Number:
AG002XSS
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(2-methoxyphenyl)-
CAS Number:
29236-13-3
Molecular Formula:
C11H7Cl2NO3
Molecular Weight:
272.0842
MDL Number:
MFCD03030017
IUPAC Name:
3,4-dichloro-1-(2-methoxyphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C11H7Cl2NO3/c1-17-7-5-3-2-4-6(7)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3
InChI Key:
BZCLVZUUOCDZAQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1C(=O)C(=C(C1=O)Cl)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.081g/mol
Monoisotopic Mass:
270.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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