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141772-31-8 | Benzoic acid, 5-amino-2-chloro-4-fluoro-, methyl ester
CAS No: 141772-31-8 Catalog No: AG001H1G MDL No:MFCD17168708
Product Description
Catalog Number:
AG001H1G
Chemical Name:
Benzoic acid, 5-amino-2-chloro-4-fluoro-, methyl ester
CAS Number:
141772-31-8
Molecular Formula:
C8H7ClFNO2
Molecular Weight:
203.5981
MDL Number:
MFCD17168708
IUPAC Name:
methyl 5-amino-2-chloro-4-fluorobenzoate
InChI:
InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3
InChI Key:
GRQLIRSFYJTUQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(cc1Cl)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.597g/mol
Monoisotopic Mass:
203.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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