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875446-29-0

875446-29-0 | (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

CAS No: 875446-29-0 Catalog No: AG008C1P MDL No:MFCD18711401

Product Description

Catalog Number:
AG008C1P
Chemical Name:
(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid
CAS Number:
875446-29-0
Molecular Formula:
C10H14BFO3
Molecular Weight:
212.0258
MDL Number:
MFCD18711401
IUPAC Name:
(4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3
InChI Key:
HMRRCUXJGOSJJA-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1B(O)O)C(C)C

Properties

Complexity:
201  
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:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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