Text Search
Structure Search

1-{1,5-bis[4-(chloromethyl)phenyl]hexan-3-yl}-4-(chloromethyl)benzene

1-{1,5-bis[4-(chloromethyl)phenyl]hexan-3-yl}-4-(chloromethyl)benzene

CAS: 9080-67-5

Formula: C27H29Cl3

SMILES: CC(CC(CCC1=CC=C(CCl)C=C1)C1=CC=C(CCl)C=C1)C1=CC=C(CCl)C=C1

IUPAC: 1-{1,5-bis[4-(chloromethyl)phenyl]hexan-3-yl}-4-(chloromethyl)benzene

InChI: InChI=1/C27H29Cl3/c1-20(25-11-7-23(18-29)8-12-25)16-27(26-13-9-24(19-30)10-14-26)15-6-21-2-4-22(17-28)5-3-21/h2-5,7-14,20,27H,6,15-19H2,1H3

Composition: C (70.52%), H (6.36%), Cl (23.13%)

Molar Mass: 459.88

Atom Count: 59

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 458.133484
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey QBVHDIKGDQTDMC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 132.99
Topological Polar Surface Area 0
Polarizability 51.3
Ring Count 3
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 9080-67-5 $106.95-$322.00$106.95$322.00
Request Quote