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Home > Nitro Compounds > 187974-75-0
187974-75-0 | Carbamic acid, N-[1-(4-nitrophenyl)-3-buten-1-yl]-, phenylmethyl ester
CAS No: 187974-75-0 Catalog No: AG002GLW MDL No:
Product Description
Catalog Number:
AG002GLW
Chemical Name:
Carbamic acid, N-[1-(4-nitrophenyl)-3-buten-1-yl]-, phenylmethyl ester
CAS Number:
187974-75-0
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
benzyl N-[1-(4-nitrophenyl)but-3-enyl]carbamate
InChI:
InChI=1S/C18H18N2O4/c1-2-6-17(15-9-11-16(12-10-15)20(22)23)19-18(21)24-13-14-7-4-3-5-8-14/h2-5,7-12,17H,1,6,13H2,(H,19,21)
InChI Key:
IUYCTIOXUWXGQX-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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