3-Amino-3- (3-bromophenyl) propionic acid

CAT: 0926-SEA39150-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-SEA39150-01Size:0.25 g

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CAS Number

117391-50-1

MDL Number

MFCD00995843

Smiles

C1=CC (=CC (=C1) Br) C (CC (=O) O) N

Molecular Formula

C9H10BrNO2

Molecular Weight

244.09 g/mol

Controlled

Chemical Information

3-Amino-3-(3-bromophenyl)propanoic acid

CAS Number	117391-50-1
PubChem CID	603619
IUPAC Name	3-amino-3-(3-bromophenyl)propanoic acid
Molecular Formula	C9H10BrNO2
Molecular Weight	244.08
XLogP	-1.3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

C1=CC(=CC(=C1)Br)C(CC(=O)O)N

InChI

InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)

InChIKey

RLYAXKJHJUXZOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117391-50-1

CID: 603619

Formula: C9H10BrNO2

MW: 244.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.08
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	242.98949
Monoisotopic Mass	242.98949
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
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
FB54163	3- (4-Bromophenyl) propionic acid
FA140126-01	3-Amino-3- (4-bromophenyl) propanoic acid
HAA39936-01	2-Amino-2- (3-bromophenyl) propanoic acid
DAA74418-01	3-{[ (4-Bromophenyl) carbamoyl]amino}propanoic acid
FAA67845-01	3-Amino-3- (4-methoxyphenyl) propionic Acid
NCA97415-01	3-Amino-3- (4-biphenylyl) propionic Acid
TAA38946-01	3-Amino-3- (2-thienyl) propionic Acid
RGA19468	3-Boc-Amino-3- (3-pyridyl) -propionic acid
ZUA79478	(3R) -3-Amino-3- (4-bromophenyl) propanoic acid hydrochloride
DFA83401	2-Amino-3- (2-bromophenyl) propanoic acid hydrochloride

Catalog	Name
sc-327674	Fmoc-3-amino-3- (3-bromophenyl) -propionic acid
sc-470001	(S) -3-Amino-3- (3-bromophenyl) propionic acid
OR913675-01	(R) -3-Amino-3- (3-bromophenyl) propionic acid
260821-01	S-3-Amino-3- (3-bromophenyl) propionic acid
sc-231304	3- (3-Bromophenyl) propionic acid
265478-01	Boc- (R) -3-amino-3- (3-bromophenyl) propionic acid
sc-294683	Fmoc- (S) -3-amino-3- (3-bromophenyl) propionic acid
sc-293596	Boc- (S) -3-amino-3- (3-bromophenyl) propionic acid
sc-294645A	Fmoc- (R) -3-amino-3- (3-bromophenyl) propionic acid
260830-01	(R) -3-Amino-3- (4-bromophenyl) propionic acid