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Home > Nitro Compounds > 7476-79-1
7476-79-1 | 4-Nitrosobenzoic acid ethyl ester
CAS No: 7476-79-1 Catalog No: AG00FTXZ MDL No:
Product Description
Catalog Number:
AG00FTXZ
Chemical Name:
4-Nitrosobenzoic acid ethyl ester
CAS Number:
7476-79-1
IUPAC Name:
ethyl 4-nitrosobenzoate
InChI:
InChI=1S/C9H9NO3/c1-2-13-9(11)7-3-5-8(10-12)6-4-7/h3-6H,2H2,1H3
InChI Key:
QKVJSTCHTZXKHI-UHFFFAOYSA-N
NSC Number:
402965
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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