1- (3-bromophenyl) propan-1-ol

CAT: 0127-OR1093722Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093722Size:250 mg

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CAS Number

74157-47-4

MDL Number

MFCD08443305

Purity

97%

Smiles

C1 (cccc (c1) C (O) CC) Br

Chemical Information

1-(3-Bromophenyl)propan-1-ol

CAS Number	74157-47-4
PubChem CID	11790580
IUPAC Name	1-(3-bromophenyl)propan-1-ol
Molecular Formula	C9H11BrO
Molecular Weight	215.09
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CCC(C1=CC(=CC=C1)Br)O

InChI

InChI=1S/C9H11BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3

InChIKey

NFRBOGHEHVPWKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74157-47-4

CID: 11790580

Formula: C9H11BrO

MW: 215.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.09
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.99933
Monoisotopic Mass	213.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR76346-01	3- (3-Bromophenyl) propan-1-ol
OR311243-01	3- (4-bromophenyl) propan-1-ol
OR1064370-01	1- (4-Bromophenyl) propan-1-ol
OR1055399-01	3-Amino-3- (3-bromophenyl) propan-1-ol
OR1099791-01	1- (4-bromophenyl) propan-2-ol
OR1057614-01	1- (2-Bromophenyl) propan-2-ol
OR1041873-01	2- (4-Bromophenyl) propan-1-ol
OR1064442-01	3-Amino-3- (3-bromophenyl) propan-1-ol hydrochloride
OR1056591-01	(R) -3-Amino-3- (3-bromophenyl) propan-1-ol
OR350021-01	2- (3-Bromophenyl) propan-2-ol