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Home > Bromides > 1269232-93-0
1269232-93-0 | Benzoic acid, 3-bromo-5-chloro-2-fluoro-
CAS No: 1269232-93-0 Catalog No: AG000THJ MDL No:MFCD21607478
Product Description
Catalog Number:
AG000THJ
Chemical Name:
Benzoic acid, 3-bromo-5-chloro-2-fluoro-
CAS Number:
1269232-93-0
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
MDL Number:
MFCD21607478
IUPAC Name:
3-bromo-5-chloro-2-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,(H,11,12)
InChI Key:
ZSCAXCZFFCKFAE-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)C(=O)O)F
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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