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(2-methyl-3-nitrophenyl)methanamine

CAS No.:
131780-96-6
Catalog Number:
AG01BCYM
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01BCYM
Chemical Name:
(2-methyl-3-nitrophenyl)methanamine
CAS Number:
131780-96-6
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD12186407
IUPAC Name:
(2-methyl-3-nitrophenyl)methanamine
InChI:
InChI=1S/C8H10N2O2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5,9H2,1H3
InChI Key:
NRAKQVUYBPWPJN-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1C)[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:
1.3  
Properties