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Home > Nitro Compounds > 1022731-57-2
1022731-57-2 | 3-tert-butyl-6-nitro-4H-indeno[1,2-c][1,2]oxazol-4-one
CAS No: 1022731-57-2 Catalog No: AG00J06L MDL No:MFCD03410397
Product Description
Catalog Number:
AG00J06L
Chemical Name:
3-tert-butyl-6-nitro-4H-indeno[1,2-c][1,2]oxazol-4-one
CAS Number:
1022731-57-2
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
MDL Number:
MFCD03410397
IUPAC Name:
3-tert-butyl-6-nitroindeno[1,2-c][1,2]oxazol-4-one
InChI:
InChI=1S/C14H12N2O4/c1-14(2,3)13-10-11(15-20-13)8-5-4-7(16(18)19)6-9(8)12(10)17/h4-6H,1-3H3
InChI Key:
YURRUQFOBZNSKR-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2c2c1c(on2)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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