Home Carboxys 3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester

3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester

CAS No.:
356783-26-1
Catalog Number:
AG00D5A3
Molecular Formula:
C6H4F2N2O2
Molecular Weight:
174.1050
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Product Description
Catalog Number:
AG00D5A3
Chemical Name:
3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester
CAS Number:
356783-26-1
Molecular Formula:
C6H4F2N2O2
Molecular Weight:
174.1050
MDL Number:
MFCD22571638
IUPAC Name:
methyl 3,6-difluoropyrazine-2-carboxylate
InChI:
InChI=1S/C6H4F2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChI Key:
CKZOKSMLAGXOJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(F)cnc1F
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.107g/mol
Monoisotopic Mass:
174.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties