AG00AR71

1448307-66-1 | 1-(2-Chloropyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carbaldehyde

AG00AR71

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CAS Number	1448307-66-1
Catalog Number	AG00AR71(AGN-PC-0WA3J1)
Chemical Name	1-(2-Chloropyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carbaldehyde
IUPAC Name	1-(2-chloropyrimidin-4-yl)-3-methylpyrazole-4-carbaldehyde
InChI	InChI=1S/C9H7ClN4O/c1-6-7(5-15)4-14(13-6)8-2-3-11-9(10)12-8/h2-5H,1H3
InChI Key	NGEXODJJSQPXEC-UHFFFAOYSA-N
MDL Number	MFCD26937548
Molecular Formula	C9H7ClN4O
Molecular Weight	222.6311
SMILES	O=CC1=CN(C2=NC(Cl)=NC=C2)N=C1C
Synonyms	1-(2-Chloropyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carbaldehyde, 1448307-66-1, 1-(2-Chloro-4-pyrimidyl)-3-methylpyrazole-4-carbaldehyde, AK157781, SCHEMBL15134003, NGEXODJJSQPXEC-UHFFFAOYSA-N, 4901AJ, MFCD26937548, ZINC95934522, AKOS024262250, CS-W003919, DS-9110, AC-29455, SY025990, AB0072849, AJ-138216, AX8261206, MFCD26937548 (95%), 1-(2-Chloro-4-pyrimidinyl)-3-methyl-1H-pyrazole-4-carboxaldehyde, C9H7ClN4O,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.031g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.632g/mol
Monoisotopic Mass	222.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number