Home Halogens Benzoic acid, 2,6-dichloro-3-nitro-, methyl ester

Benzoic acid, 2,6-dichloro-3-nitro-, methyl ester

CAS No.:
55775-99-0
Catalog Number:
AG00I9Y5
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
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Product Description
Catalog Number:
AG00I9Y5
Chemical Name:
Benzoic acid, 2,6-dichloro-3-nitro-, methyl ester
CAS Number:
55775-99-0
Molecular Formula:
C8H5Cl2NO4
Molecular Weight:
250.0356
MDL Number:
MFCD06203965
IUPAC Name:
methyl 2,6-dichloro-3-nitrobenzoate
InChI:
InChI=1S/C8H5Cl2NO4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,1H3
InChI Key:
HRRKWVIUFQWYMG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ccc(c1Cl)[N+](=O)[O-]
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:
2.8  
Properties