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Home > Nitro Compounds > 98044-79-2
98044-79-2 | L-Phenylalanine, N-[(7-nitro-2-dibenzofuranyl)sulfonyl]-
CAS No: 98044-79-2 Catalog No: AG00H6M8 MDL No:
Product Description
Catalog Number:
AG00H6M8
Chemical Name:
L-Phenylalanine, N-[(7-nitro-2-dibenzofuranyl)sulfonyl]-
CAS Number:
98044-79-2
Molecular Formula:
C21H16N2O7S
Molecular Weight:
440.4259
IUPAC Name:
2-[(7-nitrodibenzofuran-2-yl)sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C21H16N2O7S/c24-21(25)18(10-13-4-2-1-3-5-13)22-31(28,29)15-7-9-19-17(12-15)16-8-6-14(23(26)27)11-20(16)30-19/h1-9,11-12,18,22H,10H2,(H,24,25)
InChI Key:
HVFZXQGCNOESNX-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c1ccc(cc1o2)[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.068g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.426g/mol
Monoisotopic Mass:
440.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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