CAS
97143-65-2 Purity
96%
97143-65-2 Purity
96%
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(E,Z)-1-Bromo-1,2-diphenyl-2-(4-hydroxyphenyl)ethene
CAS
97151-00-3
Catalog Number
ACM97151003
Category
Other Products
Molecular Weight
351.236500 [g/mol]
Molecular Formula
C20H15BrO
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Specification
Synonyms
4-(2-bromo-1,2-diphenylethenyl)phenol, AC1MI1OT, |A-Bromo-|A-phenyl-4-stilbenol, ZINC06095542, FT-0663721, (E)-4-(2-Bromo-1,2-diphenylethenyl)phenol, 4-[(E)-2-bromo-1,2-diphenylethenyl]phenol, Phenol, 4-(2-bromo-1,2-diphenylethenyl)-, (E)-, 97151-00-3
IUPAC Name
4-[(E)-2-bromo-1,2-diphenylethenyl]phenol
Canonical SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=C(C=C3)O
InChI Key
XUBABWJOIJRXNS-FMQUCBEESA-N
Boiling Point
438.9ºC at 760mmHg
Melting Point
138-142ºC
Flash Point
219.2ºC
Density
1.382g/cm³
Exact Mass
350.03100
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of (E,Z)-1-Bromo-1,2-diphenyl-2-(4-hydroxyphenyl)ethene?
The molecular formula is C20H15BrO.
What is the molecular weight of the compound?
The molecular weight is 351.2 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-(2-bromo-1,2-diphenylethenyl)phenol.
What is the InChI of the compound?
The InChI is InChI=1S/C20H15BrO/c21-20(17-9-5-2-6-10-17)19(15-7-3-1-4-8-15)16-11-13-18(22)14-12-16/h1-14,22H.
What is the InChIKey of the compound?
The InChIKey is XUBABWJOIJRXNS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=C(C=C3)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 6.2.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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