Tributyl Borate

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CAS Number

688-74-4

Synonyms

Tributyl borate

Purity

99%

Smiles

B(OCCCC)(OCCCC)OCCCC

Chemical Information

Tributyl borate

Tributyl borate is a water-white liquid. (NTP, 1992)

CAS Number	688-74-4
PubChem CID	12712
IUPAC Name	tributyl borate
Molecular Formula	C12H27BO3
Molecular Weight	230.15
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	110

SMILES

B(OCCCC)(OCCCC)OCCCC

InChI

InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

InChIKey

LGQXXHMEBUOXRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 688-74-4

CID: 12712

Formula: C12H27BO3

MW: 230.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	230.2053249
Monoisotopic Mass	230.2053249
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes