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844891-01-6 | 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
CAS No: 844891-01-6 Catalog No: AG003K54 MDL No:MFCD06659058
Product Description
Catalog Number:
AG003K54
Chemical Name:
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
CAS Number:
844891-01-6
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
MDL Number:
MFCD06659058
IUPAC Name:
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
InChI:
InChI=1S/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
InChI Key:
AQEZCUCPPAKCLQ-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1cncc2c1cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.097g/mol
Monoisotopic Mass:
241.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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