Home Halogens 4-bromooxane-4-carboxylic acid

4-bromooxane-4-carboxylic acid

CAS No.:
1803600-06-7
Catalog Number:
AG01ACRZ
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
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Product Description
Catalog Number:
AG01ACRZ
Chemical Name:
4-bromooxane-4-carboxylic acid
CAS Number:
1803600-06-7
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
MDL Number:
MFCD26936104
IUPAC Name:
4-bromooxane-4-carboxylic acid
InChI:
InChI=1S/C6H9BrO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
InChI Key:
QEOPAXDMQKLKCF-UHFFFAOYSA-N
SMILES:
OC(=O)C1(Br)CCOCC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.974g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.039g/mol
Monoisotopic Mass:
207.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties