Home Halogens methyl 2,3-dichloro-5-nitrobenzoate

methyl 2,3-dichloro-5-nitrobenzoate

CAS No.:
63105-54-4
Catalog Number:
AG00F5QK
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
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Product Description
Catalog Number:
AG00F5QK
Chemical Name:
methyl 2,3-dichloro-5-nitrobenzoate
CAS Number:
63105-54-4
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
MDL Number:
MFCD12172998
IUPAC Name:
methyl 2,3-dichloro-5-nitrobenzoate
InChI:
InChI=1S/C8H5Cl2NO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3
InChI Key:
IIOLRSLJSWKIEX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1Cl)Cl)[N+](=O)[O-]
EC Number:
263-859-2
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.96g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.031g/mol
Monoisotopic Mass:
248.96g/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