Home Nitros N-cyclopropyl-4-nitroaniline

N-cyclopropyl-4-nitroaniline

CAS No.:
112033-47-3
Catalog Number:
AG01A66C
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
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Product Description
Catalog Number:
AG01A66C
Chemical Name:
N-cyclopropyl-4-nitroaniline
CAS Number:
112033-47-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD11122421
IUPAC Name:
N-cyclopropyl-4-nitroaniline
InChI:
InChI=1S/C9H10N2O2/c12-11(13)9-5-3-8(4-6-9)10-7-1-2-7/h3-7,10H,1-2H2
InChI Key:
VTJZKYAGHWZYQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NC1CC1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties