2-Bromo-4-chloropivalamide

CAT: 0127-OR1097404-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097404-01Size:250 mg

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CAS Number

195372-65-7

MDL Number

MFCD00094979

Purity

97%

Smiles

C1 (ccc (c (c1) Br) NC (=O) C (C) (C) C) Cl

Chemical Information

2-Bromo-4-chloropivalamide

CAS Number	195372-65-7
PubChem CID	4183137
IUPAC Name	N-(2-bromo-4-chlorophenyl)-2,2-dimethylpropanamide
Molecular Formula	C11H13BrClNO
Molecular Weight	290.58
XLogP	3.9
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

CC(C)(C)C(=O)NC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C11H13BrClNO/c1-11(2,3)10(15)14-9-5-4-7(13)6-8(9)12/h4-6H,1-3H3,(H,14,15)

InChIKey

YQZVDKHNBCIHCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 195372-65-7

CID: 4183137

Formula: C11H13BrClNO

MW: 290.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.58
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	288.98690
Monoisotopic Mass	288.98690
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
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

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