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21900-52-7 | 5-BROMO-2-CHLORO-BENZOYL CHLORIDE
CAS No: 21900-52-7 Catalog No: AG00C19Q MDL No:MFCD03208978
Product Description
Catalog Number:
AG00C19Q
Chemical Name:
5-BROMO-2-CHLORO-BENZOYL CHLORIDE
CAS Number:
21900-52-7
Molecular Formula:
C7H3BrCl2O
Molecular Weight:
253.9081
MDL Number:
MFCD03208978
IUPAC Name:
5-bromo-2-chlorobenzoyl chloride
InChI:
InChI=1S/C7H3BrCl2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChI Key:
TZIQQJRRMJWMDI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)Cl)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.874g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.904g/mol
Monoisotopic Mass:
251.874g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| (5-Bromo-2-methyl-phen-yl)(4-eth-oxy-phen-yl)methanone. | Acta crystallographica. Section E, Structure reports online 20100801 |
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