Structure

4-Bromo-4'-Hydroxybiphenyl

CAS
29558-77-8
Catalog Number
ACM29558778
Category
Bromine Series
Molecular Weight
249.1
Molecular Formula
C12H9BrO

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Specification

Synonyms
[1,1'-Biphenyl]-4-Ol, 4'-Bromo-
IUPAC Name
4-(4-bromophenyl)phenol
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
InChI Key
ARUBXNBYMCVENE-UHFFFAOYSA-N
Boiling Point
355.5 ºC
Melting Point
164-166 ºC
Appearance
White solid
Complexity
167
Covalently-Bonded Unit Count
1
Exact Mass
247.98368g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
247.98368g/mol
NSC Number
130468;17284
Rotatable Bond Count
1
UNII
FW4M61S0BB
XLogP3
4.7
What is the PubChem CID for 4-Bromo-4'-hydroxybiphenyl?

The PubChem CID for 4-Bromo-4'-hydroxybiphenyl is 44181770.

What is the molecular formula of 4-Bromo-4'-hydroxybiphenyl?

The molecular formula of 4-Bromo-4'-hydroxybiphenyl is C12H11BrO.

What is the molecular weight of 4-Bromo-4'-hydroxybiphenyl?

The molecular weight of 4-Bromo-4'-hydroxybiphenyl is 251.12 g/mol.

What is the IUPAC name of 4-Bromo-4'-hydroxybiphenyl?

The IUPAC name of 4-Bromo-4'-hydroxybiphenyl is 1-bromo-4-phenylcyclohexa-2,4-dien-1-ol.

What is the InChI of 4-Bromo-4'-hydroxybiphenyl?

The InChI of 4-Bromo-4'-hydroxybiphenyl is InChI=1S/C12H11BrO/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,14H,9H2.

What is the InChIKey of 4-Bromo-4'-hydroxybiphenyl?

The InChIKey of 4-Bromo-4'-hydroxybiphenyl is YOTNOWHVKHYWRI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-4'-hydroxybiphenyl?

The canonical SMILES of 4-Bromo-4'-hydroxybiphenyl is C1C=C(C=CC1(O)Br)C2=CC=CC=C2.

What is the CAS number of 4-Bromo-4'-hydroxybiphenyl?

The CAS number of 4-Bromo-4'-hydroxybiphenyl is 1184919-27-4.

What is the XLogP3-AA value of 4-Bromo-4'-hydroxybiphenyl?

The XLogP3-AA value of 4-Bromo-4'-hydroxybiphenyl is 2.9.

Is 4-Bromo-4'-hydroxybiphenyl capable of forming hydrogen bonds?

Yes, 4-Bromo-4'-hydroxybiphenyl has one hydrogen bond donor and one hydrogen bond acceptor.

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