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124170-34-9

124170-34-9 | Benzenepropanal, 3-bromo-4-fluoro-

CAS No: 124170-34-9 Catalog No: AG000LMD MDL No:MFCD09028600

Product Description

Catalog Number:
AG000LMD
Chemical Name:
Benzenepropanal, 3-bromo-4-fluoro-
CAS Number:
124170-34-9
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
MDL Number:
MFCD09028600
IUPAC Name:
3-(3-bromo-4-fluorophenyl)propanal
InChI:
InChI=1S/C9H8BrFO/c10-8-6-7(2-1-5-12)3-4-9(8)11/h3-6H,1-2H2
InChI Key:
KAMCZLXCSXPCDM-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc(c(c1)Br)F

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.064g/mol
Monoisotopic Mass:
229.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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