(D) -2-Bromo-3-phenylpropionic Acid

CAT: 0024-sc-207503Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-207503Size:1 g

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CAS Number

42990-55-6

Chemical Information

(R)-2-Bromo-3-phenylpropionic acid

CAS Number	42990-55-6
PubChem CID	11746403
IUPAC Name	(2R)-2-bromo-3-phenylpropanoic acid
Molecular Formula	C9H9BrO2
Molecular Weight	229.07
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	153

SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)Br

InChI

InChI=1S/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1

InChIKey

WDRSCFNERFONKU-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 42990-55-6

CID: 11746403

Formula: C9H9BrO2

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.97859
Monoisotopic Mass	227.97859
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
sc-211715	(L) -2-Bromo-3-phenylpropionic Acid
sc-230642	2-Phenylpropionic acid
sc-259508	2-Aminomethyl-3-phenylpropionic acid
sc-259508A	2-Aminomethyl-3-phenylpropionic acid
sc-265650	2-Cyano-3-phenylpropionic acid
sc-211187	D-α-Aminoxy-β-phenylpropionic Acid Hydrobromide
sc-255569	(S) - (+) -2-Phenylpropionic acid
sc-255467	(R) - (-) -2-Phenylpropionic acid
sc-208228	(R) -2-Acetylthio-3-phenylpropionic Acid
sc-208348	(S) -2-Acetylthio-3-phenylpropionic Acid

Catalog	Name
abx181028-01	2-Bromo-3-phenylpropionic acid
B2865-80A	(L) -2-Bromo-3-phenylpropionic Acid
MBS6025632-01	(D)-2-Bromo-3-phenylpropionic Acid
MBS6108030-01	(L)-2-Bromo-3-phenylpropionic Acid
OR1055833-01	(R) -2-Bromo-3-phenylpropionic acid
B2865-80	(D) -2-Bromo-3-phenylpropionic Acid
B24010-01	B-Bromo-b-phenylpropionic acid
C7131-100	2-Phenylpropionic acid
MBS579728	3-Phenylpropionic acid
OR471633-01	2-Hydroxy-3-phenylpropionic acid