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Home > Nitro Compounds > 1208077-37-5
1208077-37-5 | 1-methyl-3-nitro-2-(propan-2-yloxy)benzene
CAS No: 1208077-37-5 Catalog No: AG00NS1O MDL No:MFCD12547886
Product Description
Catalog Number:
AG00NS1O
Chemical Name:
1-methyl-3-nitro-2-(propan-2-yloxy)benzene
CAS Number:
1208077-37-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD12547886
IUPAC Name:
1-methyl-3-nitro-2-propan-2-yloxybenzene
InChI:
InChI=1S/C10H13NO3/c1-7(2)14-10-8(3)5-4-6-9(10)11(12)13/h4-7H,1-3H3
InChI Key:
XIOGUIDOKBSFHU-UHFFFAOYSA-N
SMILES:
CC(Oc1c(C)cccc1[N+](=O)[O-])C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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