AG008SK7

1035235-11-0 | Methyl 5-(2-bromophenyl)-1H-pyrazole-3-carboxylate

AG008SK7

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CAS Number	1035235-11-0
Catalog Number	AG008SK7(AGN-PC-0WADYD)
Chemical Name	Methyl 5-(2-bromophenyl)-1H-pyrazole-3-carboxylate
IUPAC Name	methyl 3-(2-bromophenyl)-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C11H9BrN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14)
InChI Key	FZYWALYUEMDSIG-UHFFFAOYSA-N
MDL Number	MFCD12400790
Molecular Formula	C11H9BrN2O2
Molecular Weight	281.1054
SMILES	O=C(C1=NNC(C2=CC=CC=C2Br)=C1)OC
Synonyms	Methyl 5-(2-bromophenyl)-1H-pyrazole-3-carboxylate, 1035235-11-0, methyl 3-(2-bromophenyl)-1H-pyrazole-5-carboxylate, SCHEMBL3600380, CTK8B5273, DTXSID20676701, FZYWALYUEMDSIG-UHFFFAOYSA-N, ANW-48222, MFCD12400790, SC1981, ZINC44136890, AKOS015851345, RP07496, AS-54615, BR-77937, AJ-109335, DB-059017, FT-0685824, X8667, S-7317, J-522392, W-204500, 5-(2-bromophenyl)-1H-Pyrazole-3-carboxylic acid methyl ester, C11H9BrN2O2, Methyl5-(2-bromophenyl)-1H-pyrazole-3-carboxylate,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.985g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.109g/mol
Monoisotopic Mass	279.985g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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