3- (4-bromophenoxymethyl) benzoic acid

CAT: 0926-FQA17356-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FQA17356-01Size:250 mg

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CAS Number

380173-56-8

MDL Number

MFCD00692392

Smiles

C1=CC (=CC (=C1) C (=O) O) COC2=CC=C (C=C2) Br

Molecular Formula

C14H11BrO3

Molecular Weight

307.1 g/mol

Controlled

Chemical Information

3-[(4-Bromophenoxy)methyl]benzoic acid

CAS Number	380173-56-8
PubChem CID	584653
IUPAC Name	3-[(4-bromophenoxy)methyl]benzoic acid
Molecular Formula	C14H11BrO3
Molecular Weight	307.14
XLogP	3.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	274

SMILES

C1=CC(=CC(=C1)C(=O)O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrO3/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H,16,17)

InChIKey

ZSJFWCQRVFWJCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 380173-56-8

CID: 584653

Formula: C14H11BrO3

MW: 307.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.14
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	305.98916
Monoisotopic Mass	305.98916
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	274
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
PPA62384-01	4- (4-bromophenoxymethyl) benzoic acid
YFA25532-01	3- (3-Bromophenoxymethyl) benzoic acid
NSA47378-01	3- (2-Bromophenoxymethyl) benzoic acid
KKB52489-01	4- (4-Bromophenoxymethyl) aniline
RQB88914-01	3- (3-Bromophenoxymethyl) pyridine
UUA77271-01	2- (4-Bromophenoxymethyl) oxolane
TKB74394-01	5- (3-Bromophenoxymethyl) furan-2-carboxylic acid
GNA97310-01	3- (4-Fluorobenzamido) benzoic acid
UJB95021-01	3- (4-Fluorophenoxymethyl) benzoic acid
XNA17346-01	4- (3-Bromophenoxy) benzoic acid

Catalog	Name
sc-347619	4- (2-bromophenoxymethyl) benzoic acid
C6536-1000	4-(Aminomethyl)benzoic acid
Q-1185.0005	4-Hydroxymethyl-benzoic acid
TRC-T786745-100MG	4-(Trifluoroacetylamino)benzoic Acid
TRC-B689445-5G	4-(Butylamino)benzoic Acid
TRC-D470915-100G	4-(Dimethylamino)benzoic Acid
HY-W106234-01	4- (Phenyldiazenyl) benzoic acid
T1252	4- (Aminomethyl) benzoic acid
275698-01	4-Ethynyl-Benzoic Acid
273204-01	4- (Difluoromethoxy) benzoic acid