Home Nitros (2-Methoxy-5-nitrophenyl)methanamine

(2-Methoxy-5-nitrophenyl)methanamine

CAS No.:
40896-72-8
Catalog Number:
AG00I80F
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
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Product Description
Catalog Number:
AG00I80F
Chemical Name:
(2-Methoxy-5-nitrophenyl)methanamine
CAS Number:
40896-72-8
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD11133999
IUPAC Name:
(2-methoxy-5-nitrophenyl)methanamine
InChI:
InChI=1S/C8H10N2O3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5,9H2,1H3
InChI Key:
LHQPIGVESZOYNG-UHFFFAOYSA-N
SMILES:
NCc1cc(ccc1OC)[N+](=O)[O-]
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:
0.6  
Properties