Home Halogens 4-Amino-2-chloro-3-fluorobenzoic acid

4-Amino-2-chloro-3-fluorobenzoic acid

CAS No.:
1124214-25-0
Catalog Number:
AG0033W2
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
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Product Description
Catalog Number:
AG0033W2
Chemical Name:
4-Amino-2-chloro-3-fluorobenzoic acid
CAS Number:
1124214-25-0
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD20646129
IUPAC Name:
4-amino-2-chloro-3-fluorobenzoic acid
InChI:
InChI=1S/C7H5ClFNO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12)
InChI Key:
NHDBDTBRXKRBQV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1Cl)F)N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties