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2101-89-5 | Benzene, 1-azido-3-bromo-
CAS No: 2101-89-5 Catalog No: AG002KKR MDL No:MFCD09040602
Product Description
Catalog Number:
AG002KKR
Chemical Name:
Benzene, 1-azido-3-bromo-
CAS Number:
2101-89-5
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD09040602
IUPAC Name:
1-azido-3-bromobenzene
InChI:
InChI=1S/C6H4BrN3/c7-5-2-1-3-6(4-5)9-10-8/h1-4H
InChI Key:
KLKGUBBTVRHUGD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc(c1)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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