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Home > Nitro Compounds > 169604-46-0
169604-46-0 | phenyl N-(4-methoxy-2-nitrophenyl)carbamate
CAS No: 169604-46-0 Catalog No: AG019KJA MDL No:MFCD09040532
Product Description
Catalog Number:
AG019KJA
Chemical Name:
phenyl N-(4-methoxy-2-nitrophenyl)carbamate
CAS Number:
169604-46-0
Molecular Formula:
C14H12N2O5
Molecular Weight:
288.2555
MDL Number:
MFCD09040532
IUPAC Name:
phenyl N-(4-methoxy-2-nitrophenyl)carbamate
InChI:
InChI=1S/C14H12N2O5/c1-20-11-7-8-12(13(9-11)16(18)19)15-14(17)21-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)
InChI Key:
AVIQJJIORLWADD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)Oc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.259g/mol
Monoisotopic Mass:
288.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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