Home Other Building Blocks METHYL 2-CHLORO-3-IODO-5-NITROBENZOATE

METHYL 2-CHLORO-3-IODO-5-NITROBENZOATE

CAS No.:
1500219-61-3
Catalog Number:
AG01DVEX
Molecular Formula:
C8H5ClINO4
Molecular Weight:
341.4871
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Product Description
Catalog Number:
AG01DVEX
Chemical Name:
METHYL 2-CHLORO-3-IODO-5-NITROBENZOATE
CAS Number:
1500219-61-3
Molecular Formula:
C8H5ClINO4
Molecular Weight:
341.4871
MDL Number:
MFCD24107073
IUPAC Name:
methyl 2-chloro-3-iodo-5-nitrobenzoate
InChI:
InChI=1S/C8H5ClINO4/c1-15-8(12)5-2-4(11(13)14)3-6(10)7(5)9/h2-3H,1H3
InChI Key:
UXLAEKLSJLBNEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1Cl)I)[N+](=O)[O-]
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.895g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.485g/mol
Monoisotopic Mass:
340.895g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties