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93213-79-7 | Benzene, 2-(bromomethyl)-3,4-dichloro-1-nitro-
CAS No: 93213-79-7 Catalog No: AG0039HC MDL No:MFCD22043898
Product Description
Catalog Number:
AG0039HC
Chemical Name:
Benzene, 2-(bromomethyl)-3,4-dichloro-1-nitro-
CAS Number:
93213-79-7
Molecular Formula:
C7H4BrCl2NO2
Molecular Weight:
284.9222
MDL Number:
MFCD22043898
IUPAC Name:
3-(bromomethyl)-1,2-dichloro-4-nitrobenzene
InChI:
InChI=1S/C7H4BrCl2NO2/c8-3-4-6(11(12)13)2-1-5(9)7(4)10/h1-2H,3H2
InChI Key:
PNXFVIUEJUUQGZ-UHFFFAOYSA-N
SMILES:
BrCc1c(ccc(c1Cl)Cl)[N+](=O)[O-]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.88g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.918g/mol
Monoisotopic Mass:
282.88g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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