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101080-03-9 | Benzene, 1-chloro-4-methoxy-2-methyl-5-nitro-
CAS No: 101080-03-9 Catalog No: AG0003OT MDL No:MFCD01861454
Product Description
Catalog Number:
AG0003OT
Chemical Name:
Benzene, 1-chloro-4-methoxy-2-methyl-5-nitro-
CAS Number:
101080-03-9
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD01861454
IUPAC Name:
1-chloro-4-methoxy-2-methyl-5-nitrobenzene
InChI:
InChI=1S/C8H8ClNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3
InChI Key:
NYKGERLHQSWZHA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1[N+](=O)[O-])Cl
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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