AG00C7KB

33172-56-4 | 5-Bromo-2-hydroxy-3-methyl-benzaldehyde

AG00C7KB

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CAS Number	33172-56-4
Catalog Number	AG00C7KB(AGN-PC-0KKLGH)
Chemical Name	5-Bromo-2-hydroxy-3-methyl-benzaldehyde
IUPAC Name	5-bromo-2-hydroxy-3-methylbenzaldehyde
InChI	InChI=1S/C8H7BrO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3
InChI Key	PZGFSVYPDAQKHJ-UHFFFAOYSA-N
MDL Number	MFCD01040324
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
SMILES	O=CC1=CC(Br)=CC(C)=C1O
Synonyms	5-bromo-2-hydroxy-3-methylbenzaldehyde, 33172-56-4, 5-Bromo-2-hydroxy-3-methyl-benzaldehyde, AC1MBUW2, SCHEMBL883382, CTK7H8567, DTXSID10373696, PZGFSVYPDAQKHJ-UHFFFAOYSA-N, ZINC2571718, BBL015501, MFCD01040324, STK046407, AKOS000112537, MCULE-8931446937, AS-10753, H2636, 5-bromo-2-hydroxy-3-methylbenzaldehyde, AldrichCPR, ZINC02571718, ACN-041884, CID2757016,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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