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307990-28-9 | 2-cyclopropyl-5-nitro-1H-isoindole-1,3(2H)-dione
CAS No: 307990-28-9 Catalog No: AG00JH4U MDL No:MFCD01348003
Product Description
Catalog Number:
AG00JH4U
Chemical Name:
2-cyclopropyl-5-nitro-1H-isoindole-1,3(2H)-dione
CAS Number:
307990-28-9
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
MDL Number:
MFCD01348003
IUPAC Name:
2-cyclopropyl-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C11H8N2O4/c14-10-8-4-3-7(13(16)17)5-9(8)11(15)12(10)6-1-2-6/h3-6H,1-2H2
InChI Key:
JUBSKRFXBSEHIZ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1C1CC1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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