4-(4-Chlorophenyl)benzaldehyde - CAS 80565-30-6

Catalog:	BB036524
Product Name:	4-(4-Chlorophenyl)benzaldehyde
CAS:	80565-30-6
Synonyms:	4-(4-chlorophenyl)benzaldehyde; 4-(4-chlorophenyl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-(4-chlorophenyl)benzaldehyde
Description:	4-(4-Chlorophenyl)benzaldehyde (CAS# 80565-30-6) is used in the synthesis of thieno[3,2-d]pyrimidines as scaffold of antimicrobial activity.
Molecular Weight:	216.66
Molecular Formula:	C13H9ClO
Canonical SMILES:	C1=CC(=CC=C1C=O)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C13H9ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChI Key:	UXCMNUUPBMYDLJ-UHFFFAOYSA-N
Boiling Point:	354.3 °C at 760 mmHg
Density:	1.214 g/cm³
LogP:	3.81950

Publication Number	Title	Priority Date
WO-2021116999-A1	Compounds and compositions for the treatment of tumors	20191211
WO-2020106787-A1	Glycopeptide derivative compounds and uses thereof	20181121
EP-3883590-A1	Glycopeptide derivative compounds and uses thereof	20181121
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WO-2020057422-A1	Vancomycin sulfonium derivative and preparation method therefor, pharmaceutical composition, and uses	20180921

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0341926
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4