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874301-23-2

874301-23-2 | Methyl 3-amino-5-chloro-2-nitro-benzoate

CAS No: 874301-23-2 Catalog No: AG01FC58 MDL No:

Product Description

Catalog Number:
AG01FC58
Chemical Name:
Methyl 3-amino-5-chloro-2-nitro-benzoate
CAS Number:
874301-23-2
Molecular Formula:
C8H7ClN2O4
Molecular Weight:
230.6052
IUPAC Name:
methyl 3-amino-5-chloro-2-nitrobenzoate
InChI:
InChI=1S/C8H7ClN2O4/c1-15-8(12)5-2-4(9)3-6(10)7(5)11(13)14/h2-3H,10H2,1H3
InChI Key:
VWAXPEIKSDVOLN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1[N+](=O)[O-])N

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.009g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.604g/mol
Monoisotopic Mass:
230.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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