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Home > Boronic Acids > 1084904-39-1
1084904-39-1 | (2-Isopropoxynaphthalen-1-yl)boronic acid
CAS No: 1084904-39-1 Catalog No: AG0094L8 MDL No:MFCD12862849
Product Description
Catalog Number:
AG0094L8
Chemical Name:
(2-Isopropoxynaphthalen-1-yl)boronic acid
CAS Number:
1084904-39-1
Molecular Formula:
C13H15BO3
Molecular Weight:
230.0674
MDL Number:
MFCD12862849
IUPAC Name:
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
InChI:
InChI=1S/C13H15BO3/c1-9(2)17-12-8-7-10-5-3-4-6-11(10)13(12)14(15)16/h3-9,15-16H,1-2H3
InChI Key:
YHVDICWVRLAXMV-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc2c(c1B(O)O)cccc2)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.07g/mol
Monoisotopic Mass:
230.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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