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1009-36-5 | Benzene, 1-chloro-2-methoxy-4-nitro-
CAS No: 1009-36-5 Catalog No: AG00034R MDL No:MFCD00079739
Product Description
Catalog Number:
AG00034R
Chemical Name:
Benzene, 1-chloro-2-methoxy-4-nitro-
CAS Number:
1009-36-5
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD00079739
IUPAC Name:
1-chloro-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:
JXIJUAWSDBACEB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cl)[N+](=O)[O-]
EC Number:
213-768-9
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:
2.5
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