CAS 20191-75-7

1 2D Structure

CAS 20191-75-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromonaphthalen-2-amine

2.1.2 InChI

InChI=1S/C10H8BrN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H,12H2

2.1.3 InChI Key

WENXBAFANCRIGK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 20191-75-7

2. 2-amino-1-bromonaphthalene

3. 1-bromo-2-naphthylamine

4. Mfcd00086888

5. C10h8brn

6. 1-bromo-2-aminonaphthalene

7. Schembl1913838

8. Dtxsid90446473

9. Zinc410012

10. Akos016368756

11. Mb00604

12. Ns-02705

13. Db-083606

14. Cs-0135297

15. Ft-0715550

16. F13243

17. A852909

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈BrN
Molecular Weight	222.08 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.98401 g/mol
Monoisotopic Mass	220.98401 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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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