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2-(4-Bromo-3-methylphenyl)pyrrolidine

2-(4-Bromo-3-methylphenyl)pyrrolidine - CAS 1260675-29-3

Catalog:	BB006347
Product Name:	2-(4-Bromo-3-methylphenyl)pyrrolidine
CAS:	1260675-29-3
Synonyms:	2-(4-bromo-3-methylphenyl)pyrrolidine; 2-(4-bromo-3-methylphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(4-bromo-3-methylphenyl)pyrrolidine
Description:	2-(4-Bromo-3-methylphenyl)pyrrolidine (CAS# 1260675-29-3) is a useful research chemical.
Molecular Weight:	240.14
Molecular Formula:	C11H14BrN
Canonical SMILES:	CC1=C(C=CC(=C1)C2CCCN2)Br
InChI:	InChI=1S/C11H14BrN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChI Key:	JFLBFTBAXZNXHS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422
WO-2019152419-A1	Prc2 inhibitors	20180131
AU-2019214861-A1	PRC2 inhibitors	20180131
CN-112004816-A	PRC2 inhibitors	20180131

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	172
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.03096
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9