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120-01-4 | Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis[4-methoxy- (9CI)
CAS No: 120-01-4 Catalog No: AG000Q0I MDL No:
Product Description
Catalog Number:
AG000Q0I
Chemical Name:
Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis[4-methoxy- (9CI)
CAS Number:
120-01-4
Molecular Formula:
C15H16N2O9S2
Molecular Weight:
432.4255
IUPAC Name:
4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid
InChI:
InChI=1S/C15H16N2O9S2/c1-25-13-5-3-9(27(19,20)21)7-11(13)16-15(18)17-12-8-10(28(22,23)24)4-6-14(12)26-2/h3-8H,1-2H3,(H2,16,17,18)(H,19,20,21)(H,22,23,24)
InChI Key:
JHYBBUAJZBVIRD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)Nc1cc(ccc1OC)S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-364-3
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.03g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
432.418g/mol
Monoisotopic Mass:
432.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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