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446-30-0

446-30-0 | 4-Chloro-2-fluorobenzoic acid

CAS No: 446-30-0 Catalog No: AG003L34 MDL No:MFCD00042468

Product Description

Catalog Number:
AG003L34
Chemical Name:
4-Chloro-2-fluorobenzoic acid
CAS Number:
446-30-0
Molecular Formula:
C7H4ClFO2
Molecular Weight:
174.5569
MDL Number:
MFCD00042468
IUPAC Name:
4-chloro-2-fluorobenzoic acid
InChI:
InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key:
ZLPXBWMVZANJJQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)C(=O)O
EC Number:
207-162-3
NSC Number:
190363

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.988g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.555g/mol
Monoisotopic Mass:
173.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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