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88519-45-3 | Benzene, 1-bromo-2-nitro-4-[(3-nitrophenyl)sulfonyl]-
CAS No: 88519-45-3 Catalog No: AG00482U MDL No:
Product Description
Catalog Number:
AG00482U
Chemical Name:
Benzene, 1-bromo-2-nitro-4-[(3-nitrophenyl)sulfonyl]-
CAS Number:
88519-45-3
Molecular Formula:
C12H7BrN2O6S
Molecular Weight:
387.1628
IUPAC Name:
1-bromo-2-nitro-4-(3-nitrophenyl)sulfonylbenzene
InChI:
InChI=1S/C12H7BrN2O6S/c13-11-5-4-10(7-12(11)15(18)19)22(20,21)9-3-1-2-8(6-9)14(16)17/h1-7H
InChI Key:
NRTBGFPVYYLTSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.921g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.16g/mol
Monoisotopic Mass:
385.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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