CAS
849062-00-6 Purity
98%
849062-00-6 Purity
98%
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4-[(2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl]phenylboronic acid
CAS
849062-05-1
Catalog Number
ACM849062051
Category
Other Products
Molecular Weight
330.49g/mol
Molecular Formula
C14H11BClF3O3
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Specification
IUPAC Name
[4-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C14H11BClF3O3/c16-12-6-3-10(14(17,18)19)7-13(12)22-8-9-1-4-11(5-2-9)15(20)21/h1-7,20-21H,8H2
InChI Key
SINBWLIQPYPVCZ-UHFFFAOYSA-N
Complexity
349
Covalently-Bonded Unit Count
1
Exact Mass
330.044187g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
22
Monoisotopic Mass
330.044187g/mol
Rotatable Bond Count
4
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