4-Bromo-3,5-difluorobenzoic Acid - CAS 651027-00-8

Catalog:	BB032628
Product Name:	4-Bromo-3,5-difluorobenzoic Acid
CAS:	651027-00-8
Synonyms:	4-bromo-3,5-difluorobenzoic acid; 4-bromo-3,5-difluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3,5-difluorobenzoic acid
Description:	4-Bromo-3,5-difluorobenzoic Acid (CAS# 651027-00-8) is a useful research chemical.
Molecular Weight:	237.00
Molecular Formula:	C7H3BrF2O2
Canonical SMILES:	C1=C(C=C(C(=C1F)Br)F)C(=O)O
InChI:	InChI=1S/C7H3BrF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)
InChI Key:	NLLRAEQVOZOSBB-UHFFFAOYSA-N
LogP:	2.42550

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.92845
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.92845
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3