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Home > Nitro Compounds > 63929-86-2
63929-86-2 | Benzene, 1-nitro-3-(pentyloxy)-
CAS No: 63929-86-2 Catalog No: AG00IBAV MDL No:
Product Description
Catalog Number:
AG00IBAV
Chemical Name:
Benzene, 1-nitro-3-(pentyloxy)-
CAS Number:
63929-86-2
IUPAC Name:
1-nitro-3-pentoxybenzene
InChI:
InChI=1S/C11H15NO3/c1-2-3-4-8-15-11-7-5-6-10(9-11)12(13)14/h5-7,9H,2-4,8H2,1H3
InChI Key:
AQAMRMATJFGMAZ-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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