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146548-82-5 | Urea, N-(3-aminophenyl)-N'-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-
CAS No: 146548-82-5 Catalog No: AG001E3Z MDL No:
Product Description
Catalog Number:
AG001E3Z
Chemical Name:
Urea, N-(3-aminophenyl)-N'-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-
CAS Number:
146548-82-5
Molecular Formula:
C11H17N3O7S2
Molecular Weight:
367.3986
IUPAC Name:
2-[2-[(3-aminophenyl)carbamoylamino]ethylsulfonyl]ethyl hydrogen sulfate
InChI:
InChI=1S/C11H17N3O7S2/c12-9-2-1-3-10(8-9)14-11(15)13-4-6-22(16,17)7-5-21-23(18,19)20/h1-3,8H,4-7,12H2,(H2,13,14,15)(H,18,19,20)
InChI Key:
PXYFSJOCPZCPBI-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)N)NCCS(=O)(=O)CCOS(=O)(=O)O
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
367.391g/mol
Monoisotopic Mass:
367.051g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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