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88174-55-4 | Benzaldehyde, 5-bromo-2,3,4-trimethyl-
CAS No: 88174-55-4 Catalog No: AG004F0G MDL No:
Product Description
Catalog Number:
AG004F0G
Chemical Name:
Benzaldehyde, 5-bromo-2,3,4-trimethyl-
CAS Number:
88174-55-4
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
5-bromo-2,3,4-trimethylbenzaldehyde
InChI:
InChI=1S/C10H11BrO/c1-6-7(2)9(5-12)4-10(11)8(6)3/h4-5H,1-3H3
InChI Key:
ZXPBSTIHKZCFPZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1C)C)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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