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222315-01-7 | Benzaldehyde,5-bromo-2-(2-methylpropoxy)-
CAS No: 222315-01-7 Catalog No: AG006ZFB MDL No:MFCD03422448
Product Description
Catalog Number:
AG006ZFB
Chemical Name:
Benzaldehyde,5-bromo-2-(2-methylpropoxy)-
CAS Number:
222315-01-7
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD03422448
IUPAC Name:
5-bromo-2-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H13BrO2/c1-8(2)7-14-11-4-3-10(12)5-9(11)6-13/h3-6,8H,7H2,1-2H3
InChI Key:
PZEZMIFLPKGDBB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OCC(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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