Methyl 2- (2-bromophenyl) -2-methylpropanoate

CAT: 0926-CHA74863-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CHA74863-01Size:100 mg

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CAS Number

177748-63-9

MDL Number

MFCD23096946

Smiles

CC (C) (C1=CC=CC=C1Br) C (=O) OC

Molecular Formula

C11H13BrO2

Molecular Weight

257.12 g/mol

Controlled

Chemical Information

Methyl 2-(2-bromophenyl)-2-methylpropanoate

CAS Number	177748-63-9
PubChem CID	10825020
IUPAC Name	methyl 2-(2-bromophenyl)-2-methylpropanoate
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

CC(C)(C1=CC=CC=C1Br)C(=O)OC

InChI

InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-6-4-5-7-9(8)12/h4-7H,1-3H3

InChIKey

JYACVTTYKZGWLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177748-63-9

CID: 10825020

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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
HWB81488-01	Methyl 2-{[ (2-bromophenyl) methyl]amino}-2-methylpropanoate
DXC58697-01	Methyl 2-{[ (2-bromophenyl) methyl]amino}-2-methylpropanoate hydrochloride
FCA89698-01	Methyl 2- (chlorosulfonyl) -2-methylpropanoate
ECA21321-01	Methyl 2-isocyanato-2-methylpropanoate
SAA86039-01	Methyl 2-methoxy-2-methylpropanoate
DXC59778-01	Methyl 2- (benzylamino) -2-methylpropanoate hydrochloride
ECA81523-01	Methyl 2- (4-aminophenyl) -2-methylpropanoate
USA80747-01	Methyl 2- (4-cyanophenyl) -2-methylpropanoate
JCA96524-01	Methyl 3- (benzyloxy) -2-methylpropanoate
EWB15289-01	Methyl 3- (cyclopropylamino) -2-methylpropanoate

Catalog	Name
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