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Home > Boronic Acids > 1256355-16-4

1256355-16-4

1256355-16-4 | Boronic acid, B-[3-bromo-5-(1-pyrrolidinyl)phenyl]-

CAS No: 1256355-16-4 Catalog No: AG000O3S MDL No:MFCD17926491

Product Description

Catalog Number:
AG000O3S
Chemical Name:
Boronic acid, B-[3-bromo-5-(1-pyrrolidinyl)phenyl]-
CAS Number:
1256355-16-4
Molecular Formula:
C10H13BBrNO2
Molecular Weight:
269.9307
MDL Number:
MFCD17926491
IUPAC Name:
(3-bromo-5-pyrrolidin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C10H13BBrNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7,14-15H,1-4H2
InChI Key:
IDBGWBMXFPQRRD-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)N1CCCC1)B(O)O

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.022g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.933g/mol
Monoisotopic Mass:
269.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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