1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-1-bromobut-1-ene

2.1.2 InChI

InChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3-

2.1.3 InChI Key

IUXHPSPHPKXTPA-ARJAWSKDSA-N

2.1.4 Canonical SMILES

CCC=CBr

2.1.5 Isomeric SMILES

CC/C=C\Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 31849-78-2

2. (z)-1-bromobut-1-ene

3. Cis-1-bromo-but-1-ene

4. (z)-1-bromo-1-butene

5. 1-butene, 1-bromo-,(1z)- (9ci)

6. Cis-1-bromo-1-butene

7. Schembl1843248

8. (1z)-1-bromobut-1-ene

9. Zinc56960505

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₇Br
Molecular Weight	135.00 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	133.97311 g/mol
Monoisotopic Mass	133.97311 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 31849-78-2