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126799-87-9 | Benzene, 1-(azidomethyl)-2-bromo-
CAS No: 126799-87-9 Catalog No: AG000T9E MDL No:MFCD11637159
Product Description
Catalog Number:
AG000T9E
Chemical Name:
Benzene, 1-(azidomethyl)-2-bromo-
CAS Number:
126799-87-9
Molecular Formula:
C7H6BrN3
Molecular Weight:
212.0466
MDL Number:
MFCD11637159
IUPAC Name:
1-(azidomethyl)-2-bromobenzene
InChI:
InChI=1S/C7H6BrN3/c8-7-4-2-1-3-6(7)5-10-11-9/h1-4H,5H2
InChI Key:
UQTIJSCAOJIGQZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1ccccc1Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.05g/mol
Monoisotopic Mass:
210.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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