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100948-83-2

100948-83-2 | Benzene, 1,3-dichloro-5-methoxy-2-nitro-

CAS No: 100948-83-2 Catalog No: AG0003A0 MDL No:MFCD00983851

Product Description

Catalog Number:
AG0003A0
Chemical Name:
Benzene, 1,3-dichloro-5-methoxy-2-nitro-
CAS Number:
100948-83-2
Molecular Formula:
C7H5Cl2NO3
Molecular Weight:
222.0255
MDL Number:
MFCD00983851
IUPAC Name:
1,3-dichloro-5-methoxy-2-nitrobenzene
InChI:
InChI=1S/C7H5Cl2NO3/c1-13-4-2-5(8)7(10(11)12)6(9)3-4/h2-3H,1H3
InChI Key:
ZXJNASYUWVEBAH-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1)Cl)[N+](=O)[O-]

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.965g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.021g/mol
Monoisotopic Mass:
220.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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