CAS 114224-27-0 | 1H-Indol-3-ol, 6-bromo- | CAS Number 114224-27-0

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114224-27-0 | 1H-Indol-3-ol, 6-bromo-

CAS No: 114224-27-0 Catalog No: AG000AVE MDL No:MFCD10697727

Product Description

Catalog Number:

AG000AVE

Chemical Name:

1H-Indol-3-ol, 6-bromo-

CAS Number:

114224-27-0

Molecular Formula:

C8H6BrNO

Molecular Weight:

212.0433

MDL Number:

MFCD10697727

IUPAC Name:

6-bromo-1H-indol-3-ol

InChI:

InChI=1S/C8H6BrNO/c9-5-1-2-6-7(3-5)10-4-8(6)11/h1-4,10-11H

InChI Key:

QWWXZNUEYOUPMC-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)[nH]cc2O

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.046g/mol

Monoisotopic Mass:

210.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Total synthesis of (+/-)-flustramines A and C, (+/-)-flustramide A, and (-)- and (+)-debromoflustramines A.	The Journal of organic chemistry 20080801
Characterisation of natural indigo and shellfish purple by mass spectrometric techniques.	Rapid communications in mass spectrometry : RCM 20040101