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Home > Nitro Compounds > 87605-28-5
87605-28-5 | Carbamic acid, (2-azidoethyl)-, (4-nitrophenyl)methyl ester
CAS No: 87605-28-5 Catalog No: AG004I2Z MDL No:
Product Description
Catalog Number:
AG004I2Z
Chemical Name:
Carbamic acid, (2-azidoethyl)-, (4-nitrophenyl)methyl ester
CAS Number:
87605-28-5
Molecular Formula:
C10H11N5O4
Molecular Weight:
265.2254
IUPAC Name:
(4-nitrophenyl)methyl N-(2-azidoethyl)carbamate
InChI:
InChI=1S/C10H11N5O4/c11-14-13-6-5-12-10(16)19-7-8-1-3-9(4-2-8)15(17)18/h1-4H,5-7H2,(H,12,16)
InChI Key:
PNDZKUYJNNAJBA-UHFFFAOYSA-N
SMILES:
O=C(NCCN=[N+]=[N-])OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.229g/mol
Monoisotopic Mass:
265.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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