AG00283Z

202197-26-0 | Benzenamine, 3-​chloro-​4-​[(3-​fluorophenyl)​methoxy]​-

AG00283Z

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CAS Number	202197-26-0
Catalog Number	AG00283Z(AGN-PC-0D1ZTM)
Chemical Name	Benzenamine, 3-​chloro-​4-​[(3-​fluorophenyl)​methoxy]​-
EC Number	445-590-4
IUPAC Name	3-chloro-4-[(3-fluorophenyl)methoxy]aniline
InChI	InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChI Key	AYPFEYDGZDPAPE-UHFFFAOYSA-N
MDL Number	MFCD06809822
Molecular Formula	C13H11ClFNO
Molecular Weight	251.6839
SMILES	C(Oc1c(Cl)cc(cc1)N)c1cc(F)ccc1
Synonyms	202197-26-0, 3-CHLORO-4-(3-FLUOROBENZYLOXY)ANILINE, 3-Chloro-4-((3-fluorobenzyl)oxy)aniline, 3-chloro-4-[(3-fluorophenyl)methoxy]aniline, 3-chloro-4-[(3-fluorobenzyl)oxy]aniline, 4-(3-fluorobenzyloxy)-3-chlorobenzenamine, Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-, 3-Chloro-4-(3-fluoro-benzyloxy)-phenylamine, AC1OEMB1, AC1Q51MO, SCHEMBL156718, CTK1A1536, KS-00000NJO, DTXSID10427603, AYPFEYDGZDPAPE-UHFFFAOYSA-N, AMX10155, BCP10606, ZINC3866590, (non-labelled)Lapatinib Impurity-d4, AN-484, ANW-49322, CF-886, MFCD06809822, SBB051738, 3-chloro4-(3-fluorobenzyloxy)aniline, AKOS008093322, 4-(3-fluorobenzyloxy)-3-chloroaniline, AC-8505, MCULE-1864893975, QC-1089, RP28968, RTC-071184, SB18202, 3-chloro-4(m-fluoro-benzyloxy)-aniline, 3-chloro-4-(3-fluoro-benzyloxy)aniline, 3-chloro-4-(3-fluorobenzyloxy)-aniline, 3-choro-4-(m-fluoro-benzyloxy)-aniline, 4-(3-fluorobenzyloxy)-3-chloro aniline, 3-chloro-4-(m-fluoro-benzyloxy)-aniline, AJ-46312, AK-75901, BC657777, BR-75901, CJ-10977, SC-46159, TS-00798, 3-Chloro-4-(3-fluorobenzyloxy)phenylamine, 4-(3-fluorobenzyloxy)- 3-chlorobenzenamine, AB0062075, ST2410612, TC-071184, 4CH-015527, AM20060861, CS-0008658, FT-0659411, EN300-31606, S-2481, 3-chloro-4-[(3-fluorophenyl)methoxy]phenylamine, 197C260, AR-527/43363328, 3-chloro-4-(3-fluorobenzyloxy)aniline, AldrichCPR, I01-1246, Q-101356, Lapatinib intermediate D, C13H11ClFNO, ZINC03866590, ACN-025735, CID7059263, C2874, 3 -Chloro-4-[(3-fluorobenzyl) -oxy]aniine, EC 445-590-4, 4-(3-FLUOROBENZYLOXY)-3-CHLOROBENZENAMINE HYDROCHLORIDE,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.051g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.685g/mol
Monoisotopic Mass	251.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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