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21739-93-5 | 2-Bromo-5-chlorobenzoic acid
CAS No: 21739-93-5 Catalog No: AG003GPD MDL No:MFCD00013982
Product Description
Catalog Number:
AG003GPD
Chemical Name:
2-Bromo-5-chlorobenzoic acid
CAS Number:
21739-93-5
Molecular Formula:
C7H4BrClO2
Molecular Weight:
235.4625
MDL Number:
MFCD00013982
IUPAC Name:
2-bromo-5-chlorobenzoic acid
InChI:
InChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
RBCPJQQJBAQSOU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)Br
EC Number:
244-559-0
NSC Number:
128879
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.908g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.461g/mol
Monoisotopic Mass:
233.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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