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119750-09-3 | Acetic acid, 2-chloro-2-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-, ethyl ester
CAS No: 119750-09-3 Catalog No: AG000PLU MDL No:MFCD06200941
Product Description
Catalog Number:
AG000PLU
Chemical Name:
Acetic acid, 2-chloro-2-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-, ethyl ester
CAS Number:
119750-09-3
Molecular Formula:
C11H12ClN3O5
Molecular Weight:
301.6831
MDL Number:
MFCD06200941
IUPAC Name:
ethyl 2-chloro-2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]acetate
InChI:
InChI=1S/C11H12ClN3O5/c1-3-20-11(16)10(12)14-13-8-5-4-7(19-2)6-9(8)15(17)18/h4-6,13H,3H2,1-2H3
InChI Key:
IGYCEGYJFMGCFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccc(cc1[N+](=O)[O-])OC)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.683g/mol
Monoisotopic Mass:
301.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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