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101308-54-7 | Methanone, [4-(4-bromobutoxy)phenyl]phenyl-
CAS No: 101308-54-7 Catalog No: AG00047A MDL No:
Product Description
Catalog Number:
AG00047A
Chemical Name:
Methanone, [4-(4-bromobutoxy)phenyl]phenyl-
CAS Number:
101308-54-7
Molecular Formula:
C17H17BrO2
Molecular Weight:
333.2197
IUPAC Name:
[4-(4-bromobutoxy)phenyl]-phenylmethanone
InChI:
InChI=1S/C17H17BrO2/c18-12-4-5-13-20-16-10-8-15(9-11-16)17(19)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2
InChI Key:
ROOTZHKXNRLRKE-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.225g/mol
Monoisotopic Mass:
332.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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