1-(2-Bromophenyl)piperidine - CAS 156808-79-6

Catalog:	BB011267
Product Name:	1-(2-Bromophenyl)piperidine
CAS:	156808-79-6
Synonyms:	1-(2-bromophenyl)piperidine

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Computed Properties

IUPAC Name:	1-(2-bromophenyl)piperidine
Description:	1-(2-Bromophenyl)piperidine (CAS# 156808-79-6) is a useful research chemical.
Molecular Weight:	240.14
Molecular Formula:	C11H14BrN
Canonical SMILES:	C1CCN(CC1)C2=CC=CC=C2Br
InChI:	InChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChI Key:	ULDSFDQNVQGLCC-UHFFFAOYSA-N
Purity:	95 %
LogP:	3.50440

Publication Number	Title	Priority Date
CN-109384723-A	A kind of cysteine feed addictive and preparation method thereof	20181203
CA-2969164-A1	Heterocyclic derivatives as rorgamma modulators	20141223
EP-3237396-A1	Heterocyclic derivatives as rorgamma modulators	20141223
EP-3237396-B1	Heterocyclic derivatives as rorgamma modulators	20141223
US-2017349582-A1	Heterocyclic derivatives as rorgamma modulators	20141223

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.03096
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.03096
Rotatable Bond Count:	1
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6