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102735-89-7 | Benzene, 1-chloro-5-methoxy-2-methyl-3-nitro-
CAS No: 102735-89-7 Catalog No: AG00088Z MDL No:
Product Description
Catalog Number:
AG00088Z
Chemical Name:
Benzene, 1-chloro-5-methoxy-2-methyl-3-nitro-
CAS Number:
102735-89-7
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
IUPAC Name:
1-chloro-5-methoxy-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H8ClNO3/c1-5-7(9)3-6(13-2)4-8(5)10(11)12/h3-4H,1-2H3
InChI Key:
CIMSAJLMWBOEDI-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1)[N+](=O)[O-])C
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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