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7195-50-8 | Benzene,2-(bromomethyl)-1,3,5-trinitro-
CAS No: 7195-50-8 Catalog No: AG005EE3 MDL No:
Product Description
Catalog Number:
AG005EE3
Chemical Name:
Benzene,2-(bromomethyl)-1,3,5-trinitro-
CAS Number:
7195-50-8
Molecular Formula:
C7H4BrN3O6
Molecular Weight:
306.0272
IUPAC Name:
2-(bromomethyl)-1,3,5-trinitrobenzene
InChI:
InChI=1S/C7H4BrN3O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H,3H2
InChI Key:
XLOWWYUYNQRCOB-UHFFFAOYSA-N
SMILES:
BrCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.928g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.028g/mol
Monoisotopic Mass:
304.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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