Home Halogens 2-(4-bromo-2-cyanophenyl)acetic acid

2-(4-bromo-2-cyanophenyl)acetic acid

CAS No.:
1261875-31-3
Catalog Number:
AG01C4PY
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
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Product Description
Catalog Number:
AG01C4PY
Chemical Name:
2-(4-bromo-2-cyanophenyl)acetic acid
CAS Number:
1261875-31-3
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD18390797
IUPAC Name:
2-(4-bromo-2-cyanophenyl)acetic acid
InChI:
InChI=1S/C9H6BrNO2/c10-8-2-1-6(4-9(12)13)7(3-8)5-11/h1-3H,4H2,(H,12,13)
InChI Key:
RHTXWPDOAUPYHW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1CC(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties