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5-Chloro-2-nitrobenzyl Bromide

5-Chloro-2-nitrobenzyl Bromide - CAS 31577-25-0

Catalog:	BB020983
Product Name:	5-Chloro-2-nitrobenzyl Bromide
CAS:	31577-25-0
Synonyms:	2-(bromomethyl)-4-chloro-1-nitrobenzene; 2-(bromomethyl)-4-chloro-1-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(bromomethyl)-4-chloro-1-nitrobenzene
Description:	5-Chloro-2-nitrobenzyl Bromide (CAS# 31577-25-0) is a useful research chemical.
Molecular Weight:	250.48
Molecular Formula:	C7H5BrClNO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)CBr)[N+](=O)[O-]
InChI:	InChI=1S/C7H5BrClNO2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,4H2
InChI Key:	BHAYQRXZTHPSEK-UHFFFAOYSA-N
Boiling Point:	304.5 °C at 760 mmHg
Density:	1.755 g/cm³
MDL:	MFCD11848697
LogP:	3.66630

Publication Number	Title	Priority Date
WO-2020123872-A1	1-(2,6-diazaspiro[3.3]heptan-6-yl)-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives and related compounds as vasopressin antagonists for the treatment of neuro-psychological disorders	20181212
EP-3894414-A1	1-(2,6-diazaspiro[3.3]heptan-6-yl)-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives and related compounds as vasopressin antagonists for the treatment of neuro-psychological disorders	20181212
CN-110526898-A	3- indazole quinoline ketone compounds, preparation method and its in application pharmaceutically	20180525
WO-2019223548-A1	3-oxazolinone compound, preparation method therefor and pharmaceutical application thereof	20180525
CN-112334458-A	3-indazolinone compound, preparation method and application thereof in medicine and pharmacology	20180525

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.91922
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.91922
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9