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22230-42-8 | Benzaldehyde, pentabromo-
CAS No: 22230-42-8 Catalog No: AG01FFIM MDL No:
Product Description
Catalog Number:
AG01FFIM
Chemical Name:
Benzaldehyde, pentabromo-
CAS Number:
22230-42-8
Molecular Formula:
C7HBr5O
Molecular Weight:
500.6022
IUPAC Name:
2,3,4,5,6-pentabromobenzaldehyde
InChI:
InChI=1S/C7HBr5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChI Key:
KRTLACPYIMNVJR-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)c(Br)c(c(c1Br)Br)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.59g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.604g/mol
Monoisotopic Mass:
495.594g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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