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248607-57-0 | Benzaldehyde, 3,5-dibromo-4-methyl-
CAS No: 248607-57-0 Catalog No: AG002POK MDL No:MFCD00277892
Product Description
Catalog Number:
AG002POK
Chemical Name:
Benzaldehyde, 3,5-dibromo-4-methyl-
CAS Number:
248607-57-0
Molecular Formula:
C8H6Br2O
Molecular Weight:
277.9406
MDL Number:
MFCD00277892
IUPAC Name:
3,5-dibromo-4-methylbenzaldehyde
InChI:
InChI=1S/C8H6Br2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3
InChI Key:
MKWZPEZCTKRQON-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)Br)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.876g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.943g/mol
Monoisotopic Mass:
275.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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