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Home > Nitro Compounds > 708231-01-0
708231-01-0 | 3-benzyl-6-nitro-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
CAS No: 708231-01-0 Catalog No: AG00IPGV MDL No:MFCD07021464
Product Description
Catalog Number:
AG00IPGV
Chemical Name:
3-benzyl-6-nitro-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
CAS Number:
708231-01-0
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
MDL Number:
MFCD07021464
IUPAC Name:
3-benzyl-6-nitro-1,3-benzoxazine-2,4-dione
InChI:
InChI=1S/C15H10N2O5/c18-14-12-8-11(17(20)21)6-7-13(12)22-15(19)16(14)9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
BHLYZRQWLIBVKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)n(c(=O)o2)Cc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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