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161173-98-4 | Benzene, 1-bromo-3-(3-buten-1-yl)-
CAS No: 161173-98-4 Catalog No: AG001S89 MDL No:
Product Description
Catalog Number:
AG001S89
Chemical Name:
Benzene, 1-bromo-3-(3-buten-1-yl)-
CAS Number:
161173-98-4
Molecular Formula:
C10H11Br
Molecular Weight:
211.0983
IUPAC Name:
1-bromo-3-but-3-enylbenzene
InChI:
InChI=1S/C10H11Br/c1-2-3-5-9-6-4-7-10(11)8-9/h2,4,6-8H,1,3,5H2
InChI Key:
WVPDQYFDPBNJCY-UHFFFAOYSA-N
SMILES:
C=CCCc1cccc(c1)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.102g/mol
Monoisotopic Mass:
210.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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