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Home > Nitro Compounds > 179691-27-1
179691-27-1 | Carbonochloridic acid, 2-(5-methoxy-2-nitrophenyl)ethyl ester
CAS No: 179691-27-1 Catalog No: AG00277R MDL No:
Product Description
Catalog Number:
AG00277R
Chemical Name:
Carbonochloridic acid, 2-(5-methoxy-2-nitrophenyl)ethyl ester
CAS Number:
179691-27-1
Molecular Formula:
C10H10ClNO5
Molecular Weight:
259.6431
IUPAC Name:
2-(5-methoxy-2-nitrophenyl)ethyl carbonochloridate
InChI:
InChI=1S/C10H10ClNO5/c1-16-8-2-3-9(12(14)15)7(6-8)4-5-17-10(11)13/h2-3,6H,4-5H2,1H3
InChI Key:
WKXAQUKPPFKQCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1CCOC(=O)Cl)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.642g/mol
Monoisotopic Mass:
259.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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