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825619-06-5 | 1H-Pyrazole-3-carboxylic acid, 4-[(2-chloro-6-fluorobenzoyl)amino]-
CAS No: 825619-06-5 Catalog No: AG00540M MDL No:
Product Description
Catalog Number:
AG00540M
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[(2-chloro-6-fluorobenzoyl)amino]-
CAS Number:
825619-06-5
Molecular Formula:
C11H7ClFN3O3
Molecular Weight:
283.6430
IUPAC Name:
4-[(2-chloro-6-fluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C11H7ClFN3O3/c12-5-2-1-3-6(13)8(5)10(17)15-7-4-14-16-9(7)11(18)19/h1-4H,(H,14,16)(H,15,17)(H,18,19)
InChI Key:
GOMYWUGBEQBCJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.643g/mol
Monoisotopic Mass:
283.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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