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Home > Nitro Compounds > 678185-98-3
678185-98-3 | 4-Ethoxy-3-[3-(3-nitro-phenyl)-ureido]-benzene-sulfonyl chloride
CAS No: 678185-98-3 Catalog No: AG01EWWB MDL No:MFCD03424916
Product Description
Catalog Number:
AG01EWWB
Chemical Name:
4-Ethoxy-3-[3-(3-nitro-phenyl)-ureido]-benzene-sulfonyl chloride
CAS Number:
678185-98-3
Molecular Formula:
C15H14ClN3O6S
Molecular Weight:
399.8062
MDL Number:
MFCD03424916
IUPAC Name:
4-ethoxy-3-[(3-nitrophenyl)carbamoylamino]benzenesulfonyl chloride
InChI:
InChI=1S/C15H14ClN3O6S/c1-2-25-14-7-6-12(26(16,23)24)9-13(14)18-15(20)17-10-4-3-5-11(8-10)19(21)22/h3-9H,2H2,1H3,(H2,17,18,20)
InChI Key:
ZVTUSZZSDWARDI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1NC(=O)Nc1cccc(c1)[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.029g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.802g/mol
Monoisotopic Mass:
399.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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