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Home > Nitro Compounds > 74038-38-3
74038-38-3 | (4-Cyanobutyl)phosphonic acid ethyl 4-nitrophenyl ester
CAS No: 74038-38-3 Catalog No: AG00FMF1 MDL No:
Product Description
Catalog Number:
AG00FMF1
Chemical Name:
(4-Cyanobutyl)phosphonic acid ethyl 4-nitrophenyl ester
CAS Number:
74038-38-3
IUPAC Name:
5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentanenitrile
InChI:
InChI=1S/C13H17N2O5P/c1-2-19-21(18,11-5-3-4-10-14)20-13-8-6-12(7-9-13)15(16)17/h6-9H,2-5,11H2,1H3
InChI Key:
GLGWHNSGJCDPPY-UHFFFAOYSA-N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.262g/mol
Monoisotopic Mass:
312.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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