3-Bromo-4-pyrrolidinobenzoic Acid - CAS 1131615-12-7

Name: 3-Bromo-4-pyrrolidinobenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003128
Product Name:	3-Bromo-4-pyrrolidinobenzoic Acid
CAS:	1131615-12-7
Synonyms:	3-bromo-4-(1-pyrrolidinyl)benzoic acid; 3-bromo-4-pyrrolidin-1-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-pyrrolidin-1-ylbenzoic acid
Description:	3-Bromo-4-pyrrolidinobenzoic Acid (CAS# 1131615-12-7 ) is a useful research chemical.
Molecular Weight:	270.12
Molecular Formula:	C11H12BrNO2
Canonical SMILES:	C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)Br
InChI:	InChI=1S/C11H12BrNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:	IYVTXKFQNGDTPN-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.81250

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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Publication Number	Title	Priority Date
AU-2018246563-A1	4-Pyridone compound or salt thereof, and pharmaceutical composition and formulation including same	20170331
CA-3058111-A1	4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same	20170331
CN-110475775-A	4- pyridinone compounds or its salt, pharmaceutical composition and agent comprising 4- pyridinone compounds	20170331
EP-3604301-A1	4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same	20170331
JP-WO2018181883-A1	4-pyridone compound or salt thereof, pharmaceutical composition and agent containing the same	20170331

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.00514
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	269.00514
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8