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HE-CHEMICAL 0418016

CAS No.:
1804461-45-7
Catalog Number:
AG01DYZ1
Molecular Formula:
C7H3F3N2O4
Molecular Weight:
236.1049
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Product Description
Catalog Number:
AG01DYZ1
Chemical Name:
HE-CHEMICAL 0418016
CAS Number:
1804461-45-7
Molecular Formula:
C7H3F3N2O4
Molecular Weight:
236.1049
MDL Number:
MFCD28802138
IUPAC Name:
3-nitro-2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3F3N2O4/c8-7(9,10)5-4(12(15)16)3(6(13)14)1-2-11-5/h1-2H,(H,13,14)
InChI Key:
YXHYQRNBSYUAHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccnc1C(F)(F)F)C(=O)O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.004g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.106g/mol
Monoisotopic Mass:
236.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties