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2302-17-2 | Carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester, sodium salt (1:1)
CAS No: 2302-17-2 Catalog No: AG002LWP MDL No:
Product Description
Catalog Number:
AG002LWP
Chemical Name:
Carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester, sodium salt (1:1)
CAS Number:
2302-17-2
Molecular Formula:
C8H10N2NaO4S
Molecular Weight:
253.2308
IUPAC Name:
sodium;(4-aminophenyl)sulfonyl-methoxycarbonylazanide
InChI:
InChI=1S/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1
InChI Key:
PEXLHWBDBQUUOG-UHFFFAOYSA-M
SMILES:
COC(=O)NS(=O)(=O)c1ccc(cc1)N.[Na]
EC Number:
218-953-8
UNII:
KH98QH62MJ
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.22g/mol
Monoisotopic Mass:
252.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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