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10298-80-3 | 4-Chloro-3-nitroanisole
CAS No: 10298-80-3 Catalog No: AG003L55 MDL No:MFCD00007077
Product Description
Catalog Number:
AG003L55
Chemical Name:
4-Chloro-3-nitroanisole
CAS Number:
10298-80-3
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD00007077
IUPAC Name:
1-chloro-4-methoxy-2-nitrobenzene
InChI:
InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI Key:
HISHUMDTGXICEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])Cl
EC Number:
233-674-1
NSC Number:
47339
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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