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Home > Bromides > 177985-34-1

177985-34-1

177985-34-1 | Benzeneacetic acid, 5-bromo-2-chloro-

CAS No: 177985-34-1 Catalog No: AG0025P3 MDL No:MFCD18390584

Product Description

Catalog Number:
AG0025P3
Chemical Name:
Benzeneacetic acid, 5-bromo-2-chloro-
CAS Number:
177985-34-1
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD18390584
IUPAC Name:
2-(5-bromo-2-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrClO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
UZYYQYJXBQXUDT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Br)ccc1Cl

Properties

Complexity:
174  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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