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121794-40-9 | 2-Bromo-3-methylbenzoyl chloride
CAS No: 121794-40-9 Catalog No: AG01FELP MDL No:MFCD18379822
Product Description
Catalog Number:
AG01FELP
Chemical Name:
2-Bromo-3-methylbenzoyl chloride
CAS Number:
121794-40-9
Molecular Formula:
C8H6BrClO
Molecular Weight:
233.4896
MDL Number:
MFCD18379822
IUPAC Name:
2-bromo-3-methylbenzoyl chloride
InChI:
InChI=1S/C8H6BrClO/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3
InChI Key:
WBNNEUYMRSYCRP-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccc(c1Br)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.489g/mol
Monoisotopic Mass:
231.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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