Home Halogens 3-(2-bromo-4-cyanophenyl)propanoic acid

3-(2-bromo-4-cyanophenyl)propanoic acid

CAS No.:
1783615-81-5
Catalog Number:
AG01DYXK
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
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Product Description
Catalog Number:
AG01DYXK
Chemical Name:
3-(2-bromo-4-cyanophenyl)propanoic acid
CAS Number:
1783615-81-5
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD22491747
IUPAC Name:
3-(2-bromo-4-cyanophenyl)propanoic acid
InChI:
InChI=1S/C10H8BrNO2/c11-9-5-7(6-12)1-2-8(9)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
QCGAUFCUJCRMLB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)CCC(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties