AG003MP7

19463-48-0 | 3-Chloro-4-hydroxy-5-methoxybenzaldehyde

AG003MP7

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CAS Number	19463-48-0
Catalog Number	AG003MP7(AGN-PC-0JKKUC)
Chemical Name	3-Chloro-4-hydroxy-5-methoxybenzaldehyde
EC Number	243-086-7
IUPAC Name	3-chloro-4-hydroxy-5-methoxybenzaldehyde
InChI	InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChI Key	ONIVKFDMLVBDRK-UHFFFAOYSA-N
MDL Number	MFCD00016982
Molecular Formula	C8H7ClO3
Molecular Weight	186.5924
NSC Number	45929
SMILES	O=CC1=CC(OC)=C(O)C(Cl)=C1
Synonyms	4-hydroxy-3-methoxybenzaldehyde, 5-bromovanillin, 5-chlorovanillin, vanillaldehyde, vanillin, vanillin, sodium salt, 3-CHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE, 19463-48-0, 5-Chlorovanillin, Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-, 3-Chlorovanillin, Vanillin, 5-chloro-, 3-Chloro-4-hydroxy-5-methoxy-benzaldehyde, ONIVKFDMLVBDRK-UHFFFAOYSA-N, MFCD00016982, 3-chloro-4-hydroxy-5-methoxy benzaldehyde, 5-chlorovanilline, 5-chloro vanillin, EINECS 243-086-7, NSC 45929, AC1L1HTJ, CHLORO-4-HYDROXY-3-METHOXYBENZALDEHYDE, SCHEMBL564090, Vanillin, 5-chloro- (8CI), AC1Q489F, CHEMBL2205139, DTXSID9075161, CTK4E1578, ZINC78232, ALBB-026361, CS-M0909, NSC45929, ZERO/001041, BBL023134, NSC-45929, SBB001593, STK033666, AKOS000111549, FS-5847, MCULE-2096501908, VZ26630, 61670-76-6, AJ-10445, SC-65782, ZB002791, AB0129973, AB1002506, DB-044866, ST2405017, ST4045691, 3-Chloro-4-hydroxy-5-methoxybenzaldehyde #, BB 0243285, Benzaldehyde,3-chloro-4-hydroxy-5-methoxy-, FT-0637855, R1343, Z2717, 3-chloranyl-5-methoxy-4-oxidanyl-benzaldehyde, 3-Chloro-4-hydroxy-5-methoxybenzaldehyde, 96%, A813739, J-012601, Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy- (9CI), I01-18652, null, C8H7ClO3, C8-H7-Cl-O3, CID29622,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.008g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.591g/mol
Monoisotopic Mass	186.008g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335-H413
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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