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Home > Nitro Compounds > 88991-53-1
88991-53-1 | Benzene, 1-(1-methylethoxy)-3-nitro-
CAS No: 88991-53-1 Catalog No: AG00451T MDL No:
Product Description
Catalog Number:
AG00451T
Chemical Name:
Benzene, 1-(1-methylethoxy)-3-nitro-
CAS Number:
88991-53-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
1-nitro-3-propan-2-yloxybenzene
InChI:
InChI=1S/C9H11NO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3
InChI Key:
HYEGHGPJOHWWEX-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
176
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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