4-((4'-CHLORO-1-NAPHTHYLOXY)METHYL)PHEN&
Product Information
Molecular Formula
C17H14BClO3
Molecular Weight
312.559
Description
4-((4'-CHLORO-1-NAPHTHYLOXY)METHYL)PHEN is an exceptionally potent and impactful compound extensively employed in the realm of biomedicine. Its therapeutic prowess is particularly prominent in mitigating an array of afflictions, notably those marked by inflammatory responses or cancerous growth. Distinctive and unparalleled, this product exerts its influence through a mechanism that impeccably targets precise molecular pathways implicated in the progression of debilitating conditions.
Synonyms
4-[(4'-Chloro-1-naphthyloxy)methyl)phenylboronic
IUPAC Name
[4-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)COC2=CC=C(C3=CC=CC=C32)Cl)(O)O
InChI
InChI=1S/C17H14BClO3/c19-16-9-10-17(15-4-2-1-3-14(15)16)22-11-12-5-7-13(8-6-12)18(20)21/h1-10,20-21H,11H2
InChI Key
HFDWDXIYFHVORX-UHFFFAOYSA-N
Boiling Point
530°C at 760 mmHg
Purity
95%
Density
1.33g/cm3
Safety Information
Hazards
H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
312.0724522 g/mol
Monoisotopic Mass
312.0724522 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
347
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
