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Home > Boronic Acids > 850567-41-8
850567-41-8 | (4-((3-Bromopropyl)carbamoyl)phenyl)boronic acid
CAS No: 850567-41-8 Catalog No: AG004PCE MDL No:MFCD06659891
Product Description
Catalog Number:
AG004PCE
Chemical Name:
(4-((3-Bromopropyl)carbamoyl)phenyl)boronic acid
CAS Number:
850567-41-8
Molecular Formula:
C10H13BBrNO3
Molecular Weight:
285.9301
MDL Number:
MFCD06659891
IUPAC Name:
[4-(3-bromopropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BBrNO3/c12-6-1-7-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,15-16H,1,6-7H2,(H,13,14)
InChI Key:
VUIXTFJREFABTF-UHFFFAOYSA-N
SMILES:
BrCCCNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.932g/mol
Monoisotopic Mass:
285.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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