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(2-methyl-5-nitrophenyl)methanamine

CAS No.:
100708-81-4
Catalog Number:
AG01DUWM
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01DUWM
Chemical Name:
(2-methyl-5-nitrophenyl)methanamine
CAS Number:
100708-81-4
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD03410999
IUPAC Name:
(2-methyl-5-nitrophenyl)methanamine
InChI:
InChI=1S/C8H10N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,5,9H2,1H3
InChI Key:
GKYCQKHYOMZCHE-UHFFFAOYSA-N
SMILES:
NCc1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
167  
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:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties