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884504-59-0 | 5-(2-BROMOPHENYL)-5-OXOVALERONITRILE
CAS No: 884504-59-0 Catalog No: AG004EIN MDL No:
Product Description
Catalog Number:
AG004EIN
Chemical Name:
5-(2-BROMOPHENYL)-5-OXOVALERONITRILE
CAS Number:
884504-59-0
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
IUPAC Name:
5-(2-bromophenyl)-5-oxopentanenitrile
InChI:
InChI=1S/C11H10BrNO/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-2,5-6H,3-4,7H2
InChI Key:
MFTLRBDYXAYVIQ-UHFFFAOYSA-N
SMILES:
N#CCCCC(=O)c1ccccc1Br
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.111g/mol
Monoisotopic Mass:
250.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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