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Home > Boronic Acids > 850567-42-9
850567-42-9 | (3-((3-Bromopropyl)carbamoyl)phenyl)boronic acid
CAS No: 850567-42-9 Catalog No: AG004PCD MDL No:MFCD06659892
Product Description
Catalog Number:
AG004PCD
Chemical Name:
(3-((3-Bromopropyl)carbamoyl)phenyl)boronic acid
CAS Number:
850567-42-9
Molecular Formula:
C10H13BBrNO3
Molecular Weight:
285.9301
MDL Number:
MFCD06659892
IUPAC Name:
[3-(3-bromopropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BBrNO3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,5-6H2,(H,13,14)
InChI Key:
UCDZSVDQSVCTSO-UHFFFAOYSA-N
SMILES:
BrCCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
228
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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