4-Bromobenzoic acid-D4

CAT: 0127-DE2120Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-DE2120Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

787624-24-2

Purity

98%

Smiles

O=C(O)C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]

Chemical Information

4-Bromobenzoic-d4 Acid

CAS Number	787624-24-2
PubChem CID	129627433
IUPAC Name	4-bromo-2,3,5,6-tetradeuteriobenzoic acid
Molecular Formula	C7H5BrO2
Molecular Weight	205.04
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	128

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])Br)[2H]

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D

InChIKey

TUXYZHVUPGXXQG-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 787624-24-2

CID: 129627433

Formula: C7H5BrO2

MW: 205.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.04
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.97240
Monoisotopic Mass	203.97240
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	128
Isotope Atom Count	4
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
DE2144	2-Bromobenzoic acid-D4
OR4997-01	4-Bromobenzoic acid
OR1098452	2- (benzyloxy) -4-bromobenzoic acid
OR1060552-01	3-Acetyl-4-bromobenzoic acid
OR6241-01	4-Amino-3-bromobenzoic acid
OR1064955-01	4-Acetoxy-3-bromobenzoic acid
OR1098227-01	4- (benzyloxy) -3-bromobenzoic acid
OR9541-01	3- (Benzyloxy) -4-bromobenzoic acid
OR13732-01	2-Amino-4-bromobenzoic acid
OR50625-01	4-Acetyl-2-bromobenzoic acid

Catalog	Name
HY-W249257-01	4-Bromobenzoic acid-d4
AR-B06750-01	2-Bromobenzoic-d4 Acid
HY-Y1138S-01	2-Bromobenzoic acid-d4
TRC-B680300-100G	4-Bromobenzoic Acid
TRC-B680252-1G	3-Bromobenzoic Acid Methyl Ester-d4
1021280 100	4-Bromobenzoic acid For Synthesis
HY-W003093-01	2-Amino-4-bromobenzoic acid
HY-W008472-01	4-Amino-3-bromobenzoic acid
424017-01	3-Benzyloxy-4-bromobenzoic acid
414037-01	2- (Benzyloxy) -4-bromobenzoic acid