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138197-90-7 | Cyclopentanone, 2,5-bis[(3-bromophenyl)methylene]-
CAS No: 138197-90-7 Catalog No: AG00189N MDL No:
Product Description
Catalog Number:
AG00189N
Chemical Name:
Cyclopentanone, 2,5-bis[(3-bromophenyl)methylene]-
CAS Number:
138197-90-7
Molecular Formula:
C19H14Br2O
Molecular Weight:
418.1219
IUPAC Name:
2,5-bis[(3-bromophenyl)methylidene]cyclopentan-1-one
InChI:
InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2
InChI Key:
MQKBSTJEWWWOFG-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C=C1CCC(=Cc2cccc(c2)Br)C1=O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.939g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.128g/mol
Monoisotopic Mass:
415.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.9
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