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Home > Boronic Acids > 1704063-98-8
1704063-98-8 | 4-fluoro-3-(isopropoxyMethyl)phenylboronic acid
CAS No: 1704063-98-8 Catalog No: AG00ARP1 MDL No:
Product Description
Catalog Number:
AG00ARP1
Chemical Name:
4-fluoro-3-(isopropoxyMethyl)phenylboronic acid
CAS Number:
1704063-98-8
Molecular Formula:
C10H14BFO3
Molecular Weight:
212.0258
IUPAC Name:
[4-fluoro-3-(propan-2-yloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H14BFO3/c1-7(2)15-6-8-5-9(11(13)14)3-4-10(8)12/h3-5,7,13-14H,6H2,1-2H3
InChI Key:
PEFYBLKXYIMKRY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)COC(C)C)F)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.027g/mol
Monoisotopic Mass:
212.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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