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Chemical Product CAS:80-03-5Glycine,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-

CAS:80-03-5
Glycine,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-

  • CAS No:

    80-03-5
  • Name:

    Glycine,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-
  • Molecular Formula:

    C14H14 N2 O4 S
  • Molecular Weight:

    306.33696
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Glycine,N-[4-[(4-aminophenyl)sulfonyl]phenyl] ( CASNO:80-03-5 )

Identification and Related Records
Name:
Glycine,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-
CAS Registry number:
80-03-5
Iupac name:
2-[4-(4-aminophenyl)sulfonylanilino]acetic acid
Synonyms:
Glycine,N-(p-sulfanilylphenyl)- (6CI,8CI)
Acediasulfone
Ciloprin
N-(p-Sulfanilylphenyl)glycine
N-[p-(p-Aminophenylsulfonyl)phenyl]glycine
NSC158324
p,p'-Diaminodiphenyl sulfone-N-acetic acid
EINECS(EC#):
201-243-7
Molecular Formula:
C14H14 N2 O4 S
Molecular Weight:
306.33696
Inchi:
InChI=1/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
Canonical SMILES:
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)O
Chemical and Physical Properties
Density:
1.454g/cm3
Boiling Point:
632.2°C at 760 mmHg
Refractive Index:
1.667
Flash Point:
336.1°C
Computed Properties:
Molecular Weight:306.33696 [g/mol]
Molecular Formula:C14H14N2O4S
XLogP3:1
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:5
Exact Mass:306.067428
MonoIsotopic Mass:306.067428
Topological Polar Surface Area:118
Heavy Atom Count:21
Formal Charge:0
Complexity:444
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:5
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