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Home > Indoles and Oxindole > 1006572-22-0
1006572-22-0 | 2-[3-(4-nitro-1H-pyrazol-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1006572-22-0 Catalog No: AG00JV1A MDL No:MFCD02029368
Product Description
Catalog Number:
AG00JV1A
Chemical Name:
2-[3-(4-nitro-1H-pyrazol-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1006572-22-0
Molecular Formula:
C14H12N4O4
Molecular Weight:
300.2695
MDL Number:
MFCD02029368
IUPAC Name:
2-[3-(4-nitropyrazol-1-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N4O4/c19-13-11-4-1-2-5-12(11)14(20)17(13)7-3-6-16-9-10(8-15-16)18(21)22/h1-2,4-5,8-9H,3,6-7H2
InChI Key:
RBFCJTOXMNXSFJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.274g/mol
Monoisotopic Mass:
300.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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