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23147-72-0 | Benzene, 1,1',1''-(3-bromo-1-cyclopropene-1,2,3-triyl)tris-
CAS No: 23147-72-0 Catalog No: AG002MD7 MDL No:
Product Description
Catalog Number:
AG002MD7
Chemical Name:
Benzene, 1,1',1''-(3-bromo-1-cyclopropene-1,2,3-triyl)tris-
CAS Number:
23147-72-0
Molecular Formula:
C21H15Br
Molecular Weight:
347.2478
IUPAC Name:
(1-bromo-2,3-diphenylcycloprop-2-en-1-yl)benzene
InChI:
InChI=1S/C21H15Br/c22-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15H
InChI Key:
JNPKSLRRDMTMRS-UHFFFAOYSA-N
SMILES:
BrC1(c2ccccc2)C(=C1c1ccccc1)c1ccccc1
NSC Number:
101878
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.255g/mol
Monoisotopic Mass:
346.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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