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88174-43-0 | Benzaldehyde, 3-bromo-2-ethyl-4,5,6-trimethyl-
CAS No: 88174-43-0 Catalog No: AG004CJ0 MDL No:
Product Description
Catalog Number:
AG004CJ0
Chemical Name:
Benzaldehyde, 3-bromo-2-ethyl-4,5,6-trimethyl-
CAS Number:
88174-43-0
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
3-bromo-2-ethyl-4,5,6-trimethylbenzaldehyde
InChI:
InChI=1S/C12H15BrO/c1-5-10-11(6-14)8(3)7(2)9(4)12(10)13/h6H,5H2,1-4H3
InChI Key:
PNOMFTAKYBTKIU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(C)c(c(c1CC)Br)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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