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535961-79-6 | 2-Bromo-6-methylbenzoyl chloride
CAS No: 535961-79-6 Catalog No: AG01EWDR MDL No:MFCD18379823
Product Description
Catalog Number:
AG01EWDR
Chemical Name:
2-Bromo-6-methylbenzoyl chloride
CAS Number:
535961-79-6
Molecular Formula:
C8H6BrClO
Molecular Weight:
233.4896
MDL Number:
MFCD18379823
IUPAC Name:
2-bromo-6-methylbenzoyl chloride
InChI:
InChI=1S/C8H6BrClO/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3
InChI Key:
RBIRCIDQTDWTRH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(C)cccc1Br
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:
3.4
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