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2-bromo-N-(propan-2-yl)acetamide

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CHEMISTRY

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Also known as: 75726-96-4, 2-bromo-n-isopropyl-acetamide, 2-bromo-n-propan-2-ylacetamide, 2-bromo-n-(propan-2-yl)acetamide, Mfcd06800256, Acetamide, 2-bromo-n-(1-methylethyl)-

Molecular Formula

C₅H₁₀BrNO

Molecular Weight

180.04 g/mol

InChI Key

ZLDCRYWMEQJDGW-UHFFFAOYSA-N

CAS 75726-96-4

1 2D Structure

CAS 75726-96-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-N-propan-2-ylacetamide

2.1.2 InChI

InChI=1S/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)

2.1.3 InChI Key

ZLDCRYWMEQJDGW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)NC(=O)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 75726-96-4

2. 2-bromo-n-isopropyl-acetamide

3. 2-bromo-n-propan-2-ylacetamide

4. 2-bromo-n-(propan-2-yl)acetamide

5. Mfcd06800256

6. Acetamide, 2-bromo-n-(1-methylethyl)-

7. N-isopropylbromoacetamide

8. Schembl406968

9. Dtxsid40500832

10. Zldcrywmeqjdgw-uhfffaoysa-n

11. Stl066931

12. Akos000500179

13. Sb38614

14. As-10108

15. Sy030482

16. Db-031156

17. A9624

18. Cs-0153998

19. En300-216109

20. F3310-0886

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀BrNO
Molecular Weight	180.04 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.1
Heavy Atom Count	8
Formal Charge	0
Complexity	82.5
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

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