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56222-08-3 | N-Methyl-1-(2-nitrophenyl)methanamine
CAS No: 56222-08-3 Catalog No: AG003T6E MDL No:MFCD04039891
Product Description
Catalog Number:
AG003T6E
Chemical Name:
N-Methyl-1-(2-nitrophenyl)methanamine
CAS Number:
56222-08-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD04039891
IUPAC Name:
N-methyl-1-(2-nitrophenyl)methanamine
InChI:
InChI=1S/C8H10N2O2/c1-9-6-7-4-2-3-5-8(7)10(11)12/h2-5,9H,6H2,1H3
InChI Key:
WGILVXQNSFDASI-UHFFFAOYSA-N
SMILES:
CNCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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