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100510-96-1 | Acetamide, N-(2,3-dihydro-3,3-dimethyl-6-nitro-2-oxo-1H-indol-5-yl)-
CAS No: 100510-96-1 Catalog No: AG00027X MDL No:
Product Description
Catalog Number:
AG00027X
Chemical Name:
Acetamide, N-(2,3-dihydro-3,3-dimethyl-6-nitro-2-oxo-1H-indol-5-yl)-
CAS Number:
100510-96-1
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
N-(3,3-dimethyl-6-nitro-2-oxo-1H-indol-5-yl)acetamide
InChI:
InChI=1S/C12H13N3O4/c1-6(16)13-9-4-7-8(5-10(9)15(18)19)14-11(17)12(7,2)3/h4-5H,1-3H3,(H,13,16)(H,14,17)
InChI Key:
VHPGAJRXOFFZNL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C2(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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