2-Bromo-5-methylbenzaldehyde - CAS 90221-55-9

Catalog:	BB039788
Product Name:	2-Bromo-5-methylbenzaldehyde
CAS:	90221-55-9
Synonyms:	2-bromo-5-methylbenzaldehyde; 2-bromo-5-methylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-methylbenzaldehyde
Description:	2-Bromo-5-methylbenzaldehyde (CAS# 90221-55-9) is a useful research chemical.
Molecular Weight:	199.04
Molecular Formula:	C8H7BrO
Canonical SMILES:	CC1=CC(=C(C=C1)Br)C=O
InChI:	InChI=1S/C8H7BrO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,1H3
InChI Key:	UWGFRLQHWDMILE-UHFFFAOYSA-N
MDL:	MFCD08669550
LogP:	2.57000

Publication Number	Title	Priority Date
CN-113150022-A	3-substituted five-membered cyclic borate derivative, and pharmaceutical composition and pharmaceutical application thereof	20210423
CN-112679541-A	Preparation method and application of metal organic ternary cyclic compound	20201228
KR-20200041852-A	Mollugin derivatives, and pharmaceutical composition for preventing or treating inflammatory bowel disease comprising the same	20200413
KR-102223885-B1	Mollugin derivatives, and pharmaceutical composition for preventing or treating inflammatory bowel disease comprising the same	20200413
WO-2021174046-A1	Gpr40 agonists	20200228

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.96803
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4