3-(Chloromethyl)-5-nitrobenzyl Alcohol - CAS 2069250-63-9

Catalog:	BB016157
Product Name:	3-(Chloromethyl)-5-nitrobenzyl Alcohol
CAS:	2069250-63-9
Synonyms:	[3-(chloromethyl)-5-nitrophenyl]methanol; [3-(chloromethyl)-5-nitrophenyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[3-(chloromethyl)-5-nitrophenyl]methanol
Description:	3-(Chloromethyl)-5-nitrobenzyl Alcohol (CAS# 2069250-63-9 ) is a useful research chemical.
Molecular Weight:	201.61
Molecular Formula:	C8H8ClNO3
Canonical SMILES:	C1=C(C=C(C=C1CCl)[N+](=O)[O-])CO
InChI:	InChI=1S/C8H8ClNO3/c9-4-6-1-7(5-11)3-8(2-6)10(12)13/h1-3,11H,4-5H2
InChI Key:	BFSSQCKPYXOGFN-UHFFFAOYSA-N
LogP:	2.34910

Publication Number	Title	Priority Date
US-2020172481-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20181112
US-10913713-B2	Methods of preparing cytotoxic benzodiazepine derivatives	20181112
AU-2018213202-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20170125
CA-3050262-A1	Methods of preparing cytotoxic benzodiazepine derivatives	20170125
JP-2020505404-A	Method for preparing cytotoxic benzodiazepine derivatives	20170125

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0192708
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.0192708
Rotatable Bond Count:	2
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3