5- (3-Bromophenyl) pentan-1-ol

CAT: 0926-GMB43020-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GMB43020-01Size:50 mg

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CAS Number

931430-20-5

MDL Number

MFCD27933420

Smiles

C1=CC (=CC (=C1) Br) CCCCCO

Molecular Formula

C11H15BrO

Molecular Weight

243.14 g/mol

Controlled

Chemical Information

5-(3-Bromophenyl)pentan-1-ol

CAS Number	931430-20-5
PubChem CID	57435887
IUPAC Name	5-(3-bromophenyl)pentan-1-ol
Molecular Formula	C11H15BrO
Molecular Weight	243.14
XLogP	3.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	127

SMILES

C1=CC(=CC(=C1)Br)CCCCCO

InChI

InChI=1S/C11H15BrO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-7,9,13H,1-3,5,8H2

InChIKey

LTUDVEJNTKPQGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 931430-20-5

CID: 57435887

Formula: C11H15BrO

MW: 243.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.14
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	242.03063
Monoisotopic Mass	242.03063
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	127
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
CBA38458-01	5- (Dimethylamino) pentan-1-ol
HCA77499-01	5- (Methylsulfanyl) pentan-1-ol
VKC30963-01	4-{[ (2-Bromophenyl) methyl]amino}pentan-1-ol
ZTB65355-01	1- (4-Bromophenyl) pentan-3-one
IFA24604-01	5- (2-Hydroxyethoxy) pentan-1-ol
ZEA45558-01	5- (Methylamino) pentan-1-ol hydrochloride
HDA59042	4-Amino-5- (3-methoxyphenyl) pentan-1-ol
UEA98104-01	5- (Pyridin-3-yl) pentan-2-ol
CBA38445-01	5- (Dimethylamino) pentan-2-ol
GJC85680-01	2- (3-Bromophenyl) pentan-3-amine