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Home > Boronic Acids > 1000801-76-2
1000801-76-2 | 1H-Pyrazole, 1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1000801-76-2 Catalog No: AG0000VD MDL No:MFCD16659789
Product Description
Catalog Number:
AG0000VD
Chemical Name:
1H-Pyrazole, 1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1000801-76-2
Molecular Formula:
C13H23BN2O3
Molecular Weight:
266.1443
MDL Number:
MFCD16659789
IUPAC Name:
1-(3-methoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O3/c1-12(2)13(3,4)19-14(18-12)11-9-15-16(10-11)7-6-8-17-5/h9-10H,6-8H2,1-5H3
InChI Key:
DTOZABIUQZZUAV-UHFFFAOYSA-N
SMILES:
COCCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.18g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.148g/mol
Monoisotopic Mass:
266.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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