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Home > Nitro Compounds > 180079-93-0
180079-93-0 | Carbamic acid, [2-(3-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 180079-93-0 Catalog No: AG00I007 MDL No:MFCD16620905
Product Description
Catalog Number:
AG00I007
Chemical Name:
Carbamic acid, [2-(3-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
180079-93-0
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD16620905
IUPAC Name:
tert-butyl N-[2-(3-nitrophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)14-8-7-10-5-4-6-11(9-10)15(17)18/h4-6,9H,7-8H2,1-3H3,(H,14,16)
InChI Key:
RDJQHAJURXTACJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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