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1365272-60-1 | [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-nitro-, methyl ester
CAS No: 1365272-60-1 Catalog No: AG00121A MDL No:MFCD21609592
Product Description
Catalog Number:
AG00121A
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-nitro-, methyl ester
CAS Number:
1365272-60-1
Molecular Formula:
C14H10FNO4
Molecular Weight:
275.2319
MDL Number:
MFCD21609592
IUPAC Name:
methyl 2-fluoro-4-(3-nitrophenyl)benzoate
InChI:
InChI=1S/C14H10FNO4/c1-20-14(17)12-6-5-10(8-13(12)15)9-3-2-4-11(7-9)16(18)19/h2-8H,1H3
InChI Key:
ZSFNELXOSKFDSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.235g/mol
Monoisotopic Mass:
275.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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