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Home Nitros Benzene, 1-broMo-4-nitroso-

Benzene, 1-broMo-4-nitroso-

CAS No.:
3623-23-2
Catalog Number:
AG00COTJ
Molecular Formula:
C6H4BrNO
Molecular Weight:
186.0061
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Product Description
Catalog Number:
AG00COTJ
Chemical Name:
Benzene, 1-broMo-4-nitroso-
CAS Number:
3623-23-2
Molecular Formula:
C6H4BrNO
Molecular Weight:
186.0061
MDL Number:
MFCD02253202
IUPAC Name:
1-bromo-4-nitrosobenzene
InChI:
InChI=1S/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChI Key:
KEBOFPCXLHRSEG-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)Br
NSC Number:
404827
Properties
Complexity:
99.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.948g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.008g/mol
Monoisotopic Mass:
184.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Solid-state reaction mechanisms in monomer-dimer interconversions of p-bromonitrosobenzene. Single-crystal-to-single-crystal photodissociation and formation of new non-van der Waals close contacts. The Journal of organic chemistry 20051014
Properties