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19853-87-3 | Benzene, 1-chloro-2-methoxy-3-methyl-5-nitro-
CAS No: 19853-87-3 Catalog No: AG002BLA MDL No:
Product Description
Catalog Number:
AG002BLA
Chemical Name:
Benzene, 1-chloro-2-methoxy-3-methyl-5-nitro-
CAS Number:
19853-87-3
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
IUPAC Name:
1-chloro-2-methoxy-3-methyl-5-nitrobenzene
InChI:
InChI=1S/C8H8ClNO3/c1-5-3-6(10(11)12)4-7(9)8(5)13-2/h3-4H,1-2H3
InChI Key:
VTAFGNJSLHUWFF-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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