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Home > Boronic Acids > 122465-86-5
122465-86-5 | Boronic acid, (4-bromo-2,5-dihexylphenyl)- (9CI)
CAS No: 122465-86-5 Catalog No: AG0017AD MDL No:
Product Description
Catalog Number:
AG0017AD
Chemical Name:
Boronic acid, (4-bromo-2,5-dihexylphenyl)- (9CI)
CAS Number:
122465-86-5
Molecular Formula:
C18H30BBrO2
Molecular Weight:
369.1446
IUPAC Name:
(4-bromo-2,5-dihexylphenyl)boronic acid
InChI:
InChI=1S/C18H30BBrO2/c1-3-5-7-9-11-15-14-18(20)16(12-10-8-6-4-2)13-17(15)19(21)22/h13-14,21-22H,3-12H2,1-2H3
InChI Key:
XOVGXKRZOJPIIG-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(B(O)O)c(cc1Br)CCCCCC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.15g/mol
Monoisotopic Mass:
368.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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