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Home > Boronic Acids > 137756-90-2
137756-90-2 | Boronic acid, [4-(2-bromoethyl)phenyl]- (9CI)
CAS No: 137756-90-2 Catalog No: AG0013SQ MDL No:MFCD12546453
Product Description
Catalog Number:
AG0013SQ
Chemical Name:
Boronic acid, [4-(2-bromoethyl)phenyl]- (9CI)
CAS Number:
137756-90-2
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD12546453
IUPAC Name:
[4-(2-bromoethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BBrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5-6H2
InChI Key:
FFNGHXMQOMKXOW-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)B(O)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.88g/mol
Monoisotopic Mass:
227.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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