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7403-39-6 | N-Allyl-2,4-dinitroaniline
CAS No: 7403-39-6 Catalog No: AG00FTYF MDL No:
Product Description
Catalog Number:
AG00FTYF
Chemical Name:
N-Allyl-2,4-dinitroaniline
CAS Number:
7403-39-6
IUPAC Name:
2,4-dinitro-N-prop-2-enylaniline
InChI:
InChI=1S/C9H9N3O4/c1-2-5-10-8-4-3-7(11(13)14)6-9(8)12(15)16/h2-4,6,10H,1,5H2
InChI Key:
XTYIONQQZHXKNB-UHFFFAOYSA-N
NSC Number:
404033
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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