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89024-49-7 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(1-bromoethyl)phenyl]-5-nitro-
CAS No: 89024-49-7 Catalog No: AG0044C7 MDL No:
Product Description
Catalog Number:
AG0044C7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(1-bromoethyl)phenyl]-5-nitro-
CAS Number:
89024-49-7
Molecular Formula:
C16H11BrN2O4
Molecular Weight:
375.1735
IUPAC Name:
2-[4-(1-bromoethyl)phenyl]-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C16H11BrN2O4/c1-9(17)10-2-4-11(5-3-10)18-15(20)13-7-6-12(19(22)23)8-14(13)16(18)21/h2-9H,1H3
InChI Key:
AIUAHCDOTSXOSV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])Br
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.99g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.178g/mol
Monoisotopic Mass:
373.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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