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1805210-37-0 | 3-Bromo-2-chloro-5-fluorobenzoic acid
CAS No: 1805210-37-0 Catalog No: AG01FD8M MDL No:MFCD28166248
Product Description
Catalog Number:
AG01FD8M
Chemical Name:
3-Bromo-2-chloro-5-fluorobenzoic acid
CAS Number:
1805210-37-0
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
MDL Number:
MFCD28166248
IUPAC Name:
3-bromo-2-chloro-5-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChI Key:
VMNPEQJWXAQTPT-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(c(c1)C(=O)O)Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.899g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.451g/mol
Monoisotopic Mass:
251.899g/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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