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1261853-80-8 | Benzeneacetic acid, 4-iodo-2-nitro-
CAS No: 1261853-80-8 Catalog No: AG000S2N MDL No:MFCD18398046
Product Description
Catalog Number:
AG000S2N
Chemical Name:
Benzeneacetic acid, 4-iodo-2-nitro-
CAS Number:
1261853-80-8
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
MDL Number:
MFCD18398046
IUPAC Name:
2-(4-iodo-2-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H6INO4/c9-6-2-1-5(3-8(11)12)7(4-6)10(13)14/h1-2,4H,3H2,(H,11,12)
InChI Key:
BMCBRUHKYQTDHJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1[N+](=O)[O-])I
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.043g/mol
Monoisotopic Mass:
306.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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