Home Halogens (2S)-3-(bromomethyl)but-3-en-2-ol

(2S)-3-(bromomethyl)but-3-en-2-ol

CAS No.:
736158-13-7
Catalog Number:
AG01BTQ9
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
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Product Description
Catalog Number:
AG01BTQ9
Chemical Name:
(2S)-3-(bromomethyl)but-3-en-2-ol
CAS Number:
736158-13-7
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD30218483
IUPAC Name:
3-(bromomethyl)but-3-en-2-ol
InChI:
InChI=1S/C5H9BrO/c1-4(3-6)5(2)7/h5,7H,1,3H2,2H3
InChI Key:
DOAIDTIGLBTDQG-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=C)CBr)O
Properties
Complexity:
70.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties