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5394-18-3 | 2-(4-Bromobutyl)isoindoline-1,3-dione
CAS No: 5394-18-3 Catalog No: AG003SBU MDL No:MFCD00005905
Product Description
Catalog Number:
AG003SBU
Chemical Name:
2-(4-Bromobutyl)isoindoline-1,3-dione
CAS Number:
5394-18-3
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD00005905
IUPAC Name:
2-(4-bromobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
InChI Key:
UXFWTIGUWHJKDD-UHFFFAOYSA-N
SMILES:
BrCCCCN1C(=O)c2c(C1=O)cccc2
EC Number:
226-401-2
NSC Number:
575
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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