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102147-52-4 | 1H-Pyrrole-2,5-dione, 3,4-dibromo-1-[(phenylmethoxy)methyl]-
CAS No: 102147-52-4 Catalog No: AG0006RD MDL No:
Product Description
Catalog Number:
AG0006RD
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dibromo-1-[(phenylmethoxy)methyl]-
CAS Number:
102147-52-4
Molecular Formula:
C12H9Br2NO3
Molecular Weight:
375.0128
IUPAC Name:
3,4-dibromo-1-(phenylmethoxymethyl)pyrrole-2,5-dione
InChI:
InChI=1S/C12H9Br2NO3/c13-9-10(14)12(17)15(11(9)16)7-18-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
XLZSMTKWGJDOHY-UHFFFAOYSA-N
SMILES:
O=C1N(COCc2ccccc2)C(=O)C(=C1Br)Br
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.893g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.016g/mol
Monoisotopic Mass:
372.895g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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