Home Carboxys methyl 4,5-difluoro-1H-indole-2-carboxylate

methyl 4,5-difluoro-1H-indole-2-carboxylate

CAS No.:
1339009-36-7
Catalog Number:
AG01A4Y4
Molecular Formula:
C10H7F2NO2
Molecular Weight:
211.1649
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Product Description
Catalog Number:
AG01A4Y4
Chemical Name:
methyl 4,5-difluoro-1H-indole-2-carboxylate
CAS Number:
1339009-36-7
Molecular Formula:
C10H7F2NO2
Molecular Weight:
211.1649
MDL Number:
MFCD18860708
IUPAC Name:
methyl 4,5-difluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H7F2NO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(11)9(5)12/h2-4,13H,1H3
InChI Key:
YACLOQHUFCEVJA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccc(c2F)F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.168g/mol
Monoisotopic Mass:
211.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties