3-(2-Bromo-4-nitrophenyl)propanoic Acid - CAS 1182426-40-9

Catalog:	BB004068
Product Name:	3-(2-Bromo-4-nitrophenyl)propanoic Acid
CAS:	1182426-40-9
Synonyms:	3-(2-bromo-4-nitrophenyl)propanoic acid; 3-(2-bromo-4-nitrophenyl)propanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-bromo-4-nitrophenyl)propanoic acid
Description:	3-(2-Bromo-4-nitrophenyl)propanoic Acid (CAS# 1182426-40-9 ) is a useful research chemical.
Molecular Weight:	274.07
Molecular Formula:	C9H8BrNO4
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)CCC(=O)O
InChI:	InChI=1S/C9H8BrNO4/c10-8-5-7(11(14)15)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:	IBGQUVPGDASTRT-UHFFFAOYSA-N
LogP:	2.89770

Publication Number	Title	Priority Date
AU-2016377364-A1	4-amino-2-(1H-pyrazolo[3,4-b]pyridin-3-yl)-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine derivatives and the respective (1H-indazol-3-yl) derivatives as cGMP modulators for treating cardiovascular diseases	20151222
AU-2016377364-B2	4-amino-2-(1H-pyrazolo[3,4-b]pyridin-3-yl)-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine derivatives and the respective (1H-indazol-3-yl) derivatives as cGMP modulators for treating cardiovascular diseases	20151222
CA-3009193-A1	4-amino-2-(1h-pyrazolo[3,4-b]pyridin-3-yl)-6-oxo-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine derivatives and the respective (1h-indazol-3-yl) derivatives as cgmp modulators for treating cardiovascular diseases	20151222
EP-3394067-A1	4-amino-2-(1h-pyrazolo[3,4-b]pyridin-3-yl)-6-oxo-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine derivatives and the respective (1h-indazol-3-yl) derivatives as cgmp modulators for treating cardiovascular diseases	20151222
EP-3394067-B1	4-amino-2-(1h-pyrazolo[3,4-b]pyridin-3-yl)-6-oxo-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine derivatives and the respective (1h-indazol-3-yl) derivatives as cgmp modulators for treating cardiovascular diseases	20151222

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.96367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.96367
Rotatable Bond Count:	3
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2