Home Nitros Benzene, 1-nitro-2-propoxy-

Benzene, 1-nitro-2-propoxy-

CAS No.:
3079-53-6
Catalog Number:
AG0031AT
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG0031AT
Chemical Name:
Benzene, 1-nitro-2-propoxy-
CAS Number:
3079-53-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD28122812
IUPAC Name:
1-nitro-2-propoxybenzene
InChI:
InChI=1S/C9H11NO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
IGIBTRWOXSIMMM-UHFFFAOYSA-N
SMILES:
CCCOc1ccccc1[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:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties