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855202-79-8 | 3-Bromo-2,5-dichlorobenzoic acid
CAS No: 855202-79-8 Catalog No: AG01EXT5 MDL No:MFCD07780678
Product Description
Catalog Number:
AG01EXT5
Chemical Name:
3-Bromo-2,5-dichlorobenzoic acid
CAS Number:
855202-79-8
Molecular Formula:
C7H3BrCl2O2
Molecular Weight:
269.9075
MDL Number:
MFCD07780678
IUPAC Name:
3-bromo-2,5-dichlorobenzoic acid
InChI:
InChI=1S/C7H3BrCl2O2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H,11,12)
InChI Key:
WUZLROIBULTHKS-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)C(=O)O)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.869g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.903g/mol
Monoisotopic Mass:
267.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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