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Home > Boronic Acids > 1544739-25-4
1544739-25-4 | 3-Bromomethyl-4-fluorophenylboronic acid pinacol ester
CAS No: 1544739-25-4 Catalog No: AG00HY8J MDL No:MFCD23098825
Product Description
Catalog Number:
AG00HY8J
Chemical Name:
3-Bromomethyl-4-fluorophenylboronic acid pinacol ester
CAS Number:
1544739-25-4
Molecular Formula:
C13H17BBrFO2
Molecular Weight:
314.9863
MDL Number:
MFCD23098825
IUPAC Name:
2-[3-(bromomethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BBrFO2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7H,8H2,1-4H3
InChI Key:
BQOMTZAOMQFSJP-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.989g/mol
Monoisotopic Mass:
314.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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