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Home > Nitro Compounds > 206652-34-8
206652-34-8 | Carbamic acid, [imino(methylthio)methyl]-, (4-nitrophenyl)methyl ester (9CI)
CAS No: 206652-34-8 Catalog No: AG002IKT MDL No:
Product Description
Catalog Number:
AG002IKT
Chemical Name:
Carbamic acid, [imino(methylthio)methyl]-, (4-nitrophenyl)methyl ester (9CI)
CAS Number:
206652-34-8
Molecular Formula:
C10H11N3O4S
Molecular Weight:
269.2770
IUPAC Name:
(4-nitrophenyl)methyl N-[amino(methylsulfanyl)methylidene]carbamate
InChI:
InChI=1S/C10H11N3O4S/c1-18-9(11)12-10(14)17-6-7-2-4-8(5-3-7)13(15)16/h2-5H,6H2,1H3,(H2,11,12,14)
InChI Key:
UALAGWXIYUJSFV-UHFFFAOYSA-N
SMILES:
CSC(=N)NC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.275g/mol
Monoisotopic Mass:
269.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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