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101225-95-0 | 1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-1-methylpropyl)-
CAS No: 101225-95-0 Catalog No: AG00040Q MDL No:MFCD27940842
Product Description
Catalog Number:
AG00040Q
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-1-methylpropyl)-
CAS Number:
101225-95-0
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD27940842
IUPAC Name:
2-(4-bromobutan-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C12H12BrNO2/c1-8(6-7-13)14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3
InChI Key:
QVQCIAGHTGSHCL-UHFFFAOYSA-N
SMILES:
BrCCC(N1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
281
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:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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