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Home > Sulfanilamide > 461384-70-3
461384-70-3 | N-(1H-1,2,3-Benzotriazol-1-ylmethyl)methanesulfonamide hydrate
CAS No: 461384-70-3 Catalog No: AG01F6BU MDL No:MFCD01924348
Product Description
Catalog Number:
AG01F6BU
Chemical Name:
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)methanesulfonamide hydrate
CAS Number:
461384-70-3
Molecular Formula:
C8H12N4O3S
Molecular Weight:
244.2709
MDL Number:
MFCD01924348
IUPAC Name:
N-(benzotriazol-1-ylmethyl)methanesulfonamide;hydrate
InChI:
InChI=1S/C8H10N4O2S.H2O/c1-15(13,14)9-6-12-8-5-3-2-4-7(8)10-11-12;/h2-5,9H,6H2,1H3;1H2
InChI Key:
OJEUILVXASVDPA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)NCn1nnc2c1cccc2.O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.269g/mol
Monoisotopic Mass:
244.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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