1-bromopentacosa-10,12-diyne

1-bromopentacosa-10,12-diyne

CAS: 94598-32-0

Formula: C25H43Br

SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCCBr

IUPAC: 1-bromopentacosa-10,12-diyne

InChI: InChI=1S/C25H43Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h2-12,17-25H2,1H3

Composition: C (70.90%), H (10.23%), Br (18.87%)

Molar Mass: 423.523

Atom Count: 69

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	422.254814
Formal Charge	0
FSP3	0.84
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	NUDHYRYEPCJLCL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.51
Topological Polar Surface Area	0
Polarizability	47.12
Ring Count	0
Rotatable Bond Count	21

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