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88174-27-0 | Benzaldehyde, 3-bromo-2,4,6-trimethyl-
CAS No: 88174-27-0 Catalog No: AG004DSQ MDL No:MFCD30572266
Product Description
Catalog Number:
AG004DSQ
Chemical Name:
Benzaldehyde, 3-bromo-2,4,6-trimethyl-
CAS Number:
88174-27-0
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD30572266
IUPAC Name:
3-bromo-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C10H11BrO/c1-6-4-7(2)10(11)8(3)9(6)5-12/h4-5H,1-3H3
InChI Key:
GHWCNWQBTMHJKU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1C)Br)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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