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3-Bromo-5-chlorobenzoic acid

Catalog NumberACM42860026

CAS Number42860-02-6

CategoryOrganic Light-Emitting Diode (OLED) Materials

3-Bromo-5-chlorobenzoic acid
Synonyms
3-BROMO-5-CHLOROBENZOIC ACID;3-Bromo-5-chlorobenzoic acid 98%;Benzoic acid,3-broMo-5-chloro-
IUPAC Name
3-bromo-5-chlorobenzoic acid
Molecular Weight
235.46g/mol
Molecular Formula
C7H4BrClO2
Canonical SMILES
C1=C(C=C(C=C1Cl)Br)C(=O)O
InChI
InChI=1S/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key
PBRRUJWXRUGGAW-UHFFFAOYSA-N
Melting Point
190-192
Density
1.809
Complexity
163
Covalently-Bonded Unit Count
1
Exact Mass
233.90832g/mol
Formal Charge
0
Hazard Statements
Xi
Heavy Atom Count
11
Monoisotopic Mass
233.90832g/mol
Rotatable Bond Count
1
XLogP3
2.9
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