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Home > Boronic Acids > 1392415-54-1
1392415-54-1 | [4-chloro-3-(methoxymethyl)phenyl]boronic acid
CAS No: 1392415-54-1 Catalog No: AG01EKWC MDL No:MFCD23381010
Product Description
Catalog Number:
AG01EKWC
Chemical Name:
[4-chloro-3-(methoxymethyl)phenyl]boronic acid
CAS Number:
1392415-54-1
Molecular Formula:
C8H10BClO3
Molecular Weight:
200.4272
MDL Number:
MFCD23381010
IUPAC Name:
[4-chloro-3-(methoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BClO3/c1-13-5-6-4-7(9(11)12)2-3-8(6)10/h2-4,11-12H,5H2,1H3
InChI Key:
WKYVZGJDFXPORR-UHFFFAOYSA-N
SMILES:
COCc1cc(ccc1Cl)B(O)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.425g/mol
Monoisotopic Mass:
200.041g/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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