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16327-13-2 | 1,3,5-Cyclooctatriene, 7-bromo-
CAS No: 16327-13-2 Catalog No: AG001TZ6 MDL No:MFCD20621539
Product Description
Catalog Number:
AG001TZ6
Chemical Name:
1,3,5-Cyclooctatriene, 7-bromo-
CAS Number:
16327-13-2
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
MDL Number:
MFCD20621539
IUPAC Name:
7-bromocycloocta-1,3,5-triene
InChI:
InChI=1S/C8H9Br/c9-8-6-4-2-1-3-5-7-8/h1-6,8H,7H2
InChI Key:
CJZXWYXQEJTDRN-UHFFFAOYSA-N
SMILES:
BrC1CC=CC=CC=C1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.064g/mol
Monoisotopic Mass:
183.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
3.3
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