Home Halogens 4-(3-bromobenzoyl)oxane

4-(3-bromobenzoyl)oxane

CAS No.:
1339838-78-6
Catalog Number:
AG01B1DL
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
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Product Description
Catalog Number:
AG01B1DL
Chemical Name:
4-(3-bromobenzoyl)oxane
CAS Number:
1339838-78-6
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
MDL Number:
MFCD19611767
IUPAC Name:
(3-bromophenyl)-(oxan-4-yl)methanone
InChI:
InChI=1S/C12H13BrO2/c13-11-3-1-2-10(8-11)12(14)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2
InChI Key:
SGGIVCZHXGWJPW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)C1CCOCC1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties