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161565-36-2

161565-36-2 | Benzaldehyde, 3-bromo-5-chloro-4-methoxy-

CAS No: 161565-36-2 Catalog No: AG001VP4 MDL No:MFCD02629407

Product Description

Catalog Number:
AG001VP4
Chemical Name:
Benzaldehyde, 3-bromo-5-chloro-4-methoxy-
CAS Number:
161565-36-2
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD02629407
IUPAC Name:
3-bromo-5-chloro-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6BrClO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChI Key:
JUDGICQPFOAWBS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(c(c1)Br)OC

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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