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Home > Nitro Compounds > 1250832-42-8
1250832-42-8 | 4-(Methoxymethyl)-2-nitroaniline
CAS No: 1250832-42-8 Catalog No: AG01FEM5 MDL No:MFCD09839915
Product Description
Catalog Number:
AG01FEM5
Chemical Name:
4-(Methoxymethyl)-2-nitroaniline
CAS Number:
1250832-42-8
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD09839915
IUPAC Name:
4-(methoxymethyl)-2-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-13-5-6-2-3-7(9)8(4-6)10(11)12/h2-4H,5,9H2,1H3
InChI Key:
FILGGGAQCDVEQJ-UHFFFAOYSA-N
SMILES:
COCc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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