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1311484-50-0 | Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO][1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl]-, (T-4)-
CAS No: 1311484-50-0 Catalog No: AG000VLS MDL No:
Product Description
Catalog Number:
AG000VLS
Chemical Name:
Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO][1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl]-, (T-4)-
CAS Number:
1311484-50-0
IUPAC Name:
6-methyl-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C16H17BN2O6S/c1-12-5-7-13(8-6-12)26(22,23)19-9-3-4-14(19)17-24-15(20)10-18(2)11-16(21)25-17/h3-9H,10-11H2,1-2H3
InChI Key:
HLSJWIMKWDEIJR-UHFFFAOYSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.09g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.19g/mol
Monoisotopic Mass:
376.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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