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Home > Nitro Compounds > 877671-39-1
877671-39-1 | N-BOC-3-Methoxy-4-nitroaniline
CAS No: 877671-39-1 Catalog No: AG00IER9 MDL No:MFCD22549310
Product Description
Catalog Number:
AG00IER9
Chemical Name:
N-BOC-3-Methoxy-4-nitroaniline
CAS Number:
877671-39-1
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
MDL Number:
MFCD22549310
IUPAC Name:
tert-butyl N-(3-methoxy-4-nitrophenyl)carbamate
InChI:
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(15)13-8-5-6-9(14(16)17)10(7-8)18-4/h5-7H,1-4H3,(H,13,15)
InChI Key:
PIHXKPLPECCTDC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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