16-Bromoheptadecanoic acid

CAT: 0024-sc-255955Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-255955Size:100 mg

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CAS Number

13099-35-9

Chemical Information

17-Bromoheptadecanoic acid

CAS Number	13099-35-9
PubChem CID	83135
IUPAC Name	17-bromoheptadecanoic acid
Molecular Formula	C17H33BrO2
Molecular Weight	349.3
XLogP	6.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	20
Formal Charge	0
Complexity	207

SMILES

C(CCCCCCCCBr)CCCCCCCC(=O)O

InChI

InChI=1S/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)

InChIKey

GABSTWMSOFZKEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13099-35-9

CID: 83135

Formula: C17H33BrO2

MW: 349.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.3
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	348.16639
Monoisotopic Mass	348.16639
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	207
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

Catalog	Name
GTR19276088-01	17-Bromoheptadecanoic acid
OR1101720-01	2-Bromoheptadecanoic acid
MBS393784-01	Hexadecanoic-16,16,16-D3 Acid
TMID-0177-01	Palmitic acid-16,16,16-d3
HY-W046056	16- (Benzyloxy) -16-oxohexadecanoic acid
GTR19276145-01	16-Methoxy-16-oxohexadecanoic acid
TWK01905	16α-Hydroxydehydrotrametenolic acid
TRC-H281295-100MG	16-Heptadecynoic Acid
HY-W036513	16-Bromohexadecanoic acid
BHA39068-01	16±-Hydroxytrametenolic acid