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HE-CHEMICAL 0345531

CAS No.:
1804843-96-6
Catalog Number:
AG01DYZ3
Molecular Formula:
C7H4Br2FNO2
Molecular Weight:
312.9186
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Product Description
Catalog Number:
AG01DYZ3
Chemical Name:
HE-CHEMICAL 0345531
CAS Number:
1804843-96-6
Molecular Formula:
C7H4Br2FNO2
Molecular Weight:
312.9186
MDL Number:
MFCD28740168
IUPAC Name:
2-bromo-3-(bromomethyl)-1-fluoro-4-nitrobenzene
InChI:
InChI=1S/C7H4Br2FNO2/c8-3-4-6(11(12)13)2-1-5(10)7(4)9/h1-2H,3H2
InChI Key:
TZHYFINTWCVNEH-UHFFFAOYSA-N
SMILES:
BrCc1c(ccc(c1Br)F)[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:
312.857g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.92g/mol
Monoisotopic Mass:
310.859g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties