3-Bromo-5-methoxybenzamide - CAS 1177558-45-0

Catalog:	BB071400
Product Name:	3-Bromo-5-methoxybenzamide
CAS:	1177558-45-0
Synonyms:	3-Bromo-5-methoxybenzamide; 3-bromo-5-(methyloxy)benzamide; 3-Bromo-5-methoxy-benzamide

Technical Data

Computed Properties

IUPAC Name:	3-bromo-5-methoxybenzamide
Description:	3-Bromo-5-methoxybenzamide
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	COC1=CC(=CC(=C1)C(=O)N)Br
InChI:	InChI=1S/C8H8BrNO2/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H2,10,11)
InChI Key:	BCLZHRBOXZTZIO-UHFFFAOYSA-N

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3