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88174-53-2 | Benzaldehyde, 2-bromo-4,6-dimethyl-
CAS No: 88174-53-2 Catalog No: AG008BPH MDL No:
Product Description
Catalog Number:
AG008BPH
Chemical Name:
Benzaldehyde, 2-bromo-4,6-dimethyl-
CAS Number:
88174-53-2
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
2-bromo-4,6-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9BrO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,1-2H3
InChI Key:
LEDJXCBZNUAEMC-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1Br)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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