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61632-72-2

61632-72-2 | (4-Bromobutyl)boronic acid

CAS No: 61632-72-2 Catalog No: AG003BUT MDL No:MFCD10000895

Product Description

Catalog Number:
AG003BUT
Chemical Name:
(4-Bromobutyl)boronic acid
CAS Number:
61632-72-2
Molecular Formula:
C4H10BBrO2
Molecular Weight:
180.8360
MDL Number:
MFCD10000895
IUPAC Name:
4-bromobutylboronic acid
InChI:
InChI=1S/C4H10BBrO2/c6-4-2-1-3-5(7)8/h7-8H,1-4H2
InChI Key:
VYJXKSGBEKVCJK-UHFFFAOYSA-N
SMILES:
BrCCCCB(O)O

Properties

Complexity:
51.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.996g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.836g/mol
Monoisotopic Mass:
179.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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