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1031387-31-1

1031387-31-1 | (5-Bromo-2-methylphenyl)acetyl chloride

CAS No: 1031387-31-1 Catalog No: AG01EQMW MDL No:

Product Description

Catalog Number:
AG01EQMW
Chemical Name:
(5-Bromo-2-methylphenyl)acetyl chloride
CAS Number:
1031387-31-1
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
IUPAC Name:
2-(5-bromo-2-methylphenyl)acetyl chloride
InChI:
InChI=1S/C9H8BrClO/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3
InChI Key:
CXCKOROWEXQHDY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC(=O)Cl)Br

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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