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Home > Boronic Acids > 1260150-04-6
1260150-04-6 | 1-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDRO-6-QUINOLINYLBORONIC ACID
CAS No: 1260150-04-6 Catalog No: AG000QR7 MDL No:MFCD06801709
Product Description
Catalog Number:
AG000QR7
Chemical Name:
1-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDRO-6-QUINOLINYLBORONIC ACID
CAS Number:
1260150-04-6
Molecular Formula:
C42H60B3N3O12
Molecular Weight:
831.3717
MDL Number:
MFCD06801709
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]boronic acid
InChI:
InChI=1S/C14H20BNO4/c1-14(2,3)20-13(17)16-8-4-5-10-9-11(15(18)19)6-7-12(10)16/h6-7,9,18-19H,4-5,8H2,1-3H3
InChI Key:
WCXMMFHVJAIPBW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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