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104457-91-2 | Carbamic acid, (2-aminoethyl)-, (4-nitrophenyl)methyl ester
CAS No: 104457-91-2 Catalog No: AG007Y0K MDL No:
Product Description
Catalog Number:
AG007Y0K
Chemical Name:
Carbamic acid, (2-aminoethyl)-, (4-nitrophenyl)methyl ester
CAS Number:
104457-91-2
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
(4-nitrophenyl)methyl N-(2-aminoethyl)carbamate
InChI:
InChI=1S/C10H13N3O4/c11-5-6-12-10(14)17-7-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7,11H2,(H,12,14)
InChI Key:
UXQCJOBBBFVRIJ-UHFFFAOYSA-N
SMILES:
NCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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