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22069-96-1

22069-96-1 | Bromobenzene (3 D)

CAS No: 22069-96-1 Catalog No: AG01FFLC MDL No:MFCD12922667

Product Description

Catalog Number:
AG01FFLC
Chemical Name:
Bromobenzene (3 D)
CAS Number:
22069-96-1
Molecular Formula:
C6H4BrD
Molecular Weight:
158.0141
MDL Number:
MFCD12922667
IUPAC Name:
1-bromo-3-deuteriobenzene
InChI:
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i2D
InChI Key:
QARVLSVVCXYDNA-VMNATFBRSA-N
SMILES:
c1([2H])cccc(c1)Br

Properties

Complexity:
46.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.964g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1  
Molecular Weight:
158.016g/mol
Monoisotopic Mass:
156.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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