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962-13-0 | N-(4-Nitrophenyl)benzenecarbohydrazonoyl bromide
CAS No: 962-13-0 Catalog No: AG01F9OX MDL No:
Product Description
Catalog Number:
AG01F9OX
Chemical Name:
N-(4-Nitrophenyl)benzenecarbohydrazonoyl bromide
CAS Number:
962-13-0
Molecular Formula:
C13H10BrN3O2
Molecular Weight:
320.1414
IUPAC Name:
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl bromide
InChI:
InChI=1S/C13H10BrN3O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H/b16-13+
InChI Key:
BNXSRUVQYMMQEZ-DTQAZKPQSA-N
SMILES:
Br/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
318.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.146g/mol
Monoisotopic Mass:
318.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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