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Home > Aldehydes > 1261861-86-2
1261861-86-2 | Benzaldehyde, 4-bromo-2-(bromomethyl)-
CAS No: 1261861-86-2 Catalog No: AG000S2H MDL No:
Product Description
Catalog Number:
AG000S2H
Chemical Name:
Benzaldehyde, 4-bromo-2-(bromomethyl)-
CAS Number:
1261861-86-2
Molecular Formula:
C8H6Br2O
Molecular Weight:
277.9406
IUPAC Name:
4-bromo-2-(bromomethyl)benzaldehyde
InChI:
InChI=1S/C8H6Br2O/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3,5H,4H2
InChI Key:
NINMCMDQHKVQGX-UHFFFAOYSA-N
SMILES:
BrCc1cc(Br)ccc1C=O
Properties
Complexity:
138
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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