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827340-44-3 | 1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro-
CAS No: 827340-44-3 Catalog No: AG004UV3 MDL No:
Product Description
Catalog Number:
AG004UV3
Chemical Name:
1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro-
CAS Number:
827340-44-3
Molecular Formula:
C14H10Br2N2O4
Molecular Weight:
430.0482
IUPAC Name:
1-(bromomethyl)-4-[4-(bromomethyl)-3-nitrophenyl]-2-nitrobenzene
InChI:
InChI=1S/C14H10Br2N2O4/c15-7-11-3-1-9(5-13(11)17(19)20)10-2-4-12(8-16)14(6-10)18(21)22/h1-6H,7-8H2
InChI Key:
MNLHBURHKIZYGJ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])CBr
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.899g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.052g/mol
Monoisotopic Mass:
427.901g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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