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sodium 4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]aniline

sodium 4-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]aniline

CAS: 4563-84-2

Formula: C10H10N3NaO3S

SMILES: [Na+].CC1=CC([N-]S(=O)(=O)C2=CC=C(N)C=C2)=NO1

IUPAC: sodium 4-{[(5-methyl-1,2-oxazol-3-yl)azanidyl]sulfonyl}aniline

InChI: InChI=1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1

Composition: C (43.64%), H (3.66%), N (15.27%), Na (8.35%), O (17.44%), S (11.65%)

Molar Mass: 275.26

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 275.03405665
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LARLNXOUTTUXPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.7
Topological Polar Surface Area 95.42
Polarizability 23.89
Ring Count 2
Rotatable Bond Count 2

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