AG003B75

54788-38-4 | 2-Chloro-4-Methoxy-1-Methylbenzene

AG003B75

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CAS Number	54788-38-4
Catalog Number	AG003B75(AGN-PC-0LVOQB)
Chemical Name	2-Chloro-4-Methoxy-1-Methylbenzene
IUPAC Name	2-chloro-4-methoxy-1-methylbenzene
InChI	InChI=1S/C8H9ClO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChI Key	ZMZVVVASCILFJL-UHFFFAOYSA-N
MDL Number	MFCD00087376
Molecular Formula	C8H9ClO
Molecular Weight	156.6095
SMILES	CC1=CC=C(OC)C=C1Cl
Synonyms	2-CHLORO-4-METHOXY-1-METHYLBENZENE, 54788-38-4, 3-Chloro-4-methylanisole, 2-CHLORO-4-METHOXYTOLUENE, 2-chloro-4-methoxy-1-methyl-benzene, MFCD00087376, Benzene, 2-chloro-4-methoxy-1-methyl, Benzene, 2-chloro-4-methoxy-1-methyl-, PubChem4101, AC1OCWHN, ACMC-209xb6, AC1Q49JD, KSC602K7P, AC1Q48E9, SCHEMBL2205828, CTK5A2577, DTXSID80426249, ZMZVVVASCILFJL-UHFFFAOYSA-N, ZINC410286, ACT00862, EBD49690, KS-00000L7B, ANW-47440, BBL100689, STL554483, AKOS001224144, AS02808, AS04207, Benzene,2-chloro-4-methoxy-1-methyl-, RP22068, VZ24255, AC-22515, AJ-22799, AK-35608, AN-40472, BR-35608, CJ-04254, P812, SY031465, TS-02083, ZB014037, AB0017227, DB-006056, ST2416711, TC-066568, FT-0601293, EN300-24284, MFCD00087376 (97%), A19912, 788C384, I01-0002, J-512243, C8H9ClO, ZINC00410286, CID6951757, C3190, M-3075,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.034g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.609g/mol
Monoisotopic Mass	156.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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