AG00EDXT

623570-54-7 | 4-Chloro-3-formylpyrazole

AG00EDXT

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CAS Number	623570-54-7
Catalog Number	AG00EDXT(AGN-PC-0ODPK8)
Chemical Name	4-Chloro-3-formylpyrazole
IUPAC Name	4-chloro-1H-pyrazole-5-carbaldehyde
InChI	InChI=1S/C4H3ClN2O/c5-3-1-6-7-4(3)2-8/h1-2H,(H,6,7)
InChI Key	JCXMSYLXHJLALJ-UHFFFAOYSA-N
MDL Number	MFCD00110641
Molecular Formula	C4H3ClN2O
Molecular Weight	130.5324
SMILES	O=CC1=NNC=C1Cl
Synonyms	4-chloro-1h-pyrazole-3-carbaldehyde, 623570-54-7, 4-Chloro-3-formylpyrazole, 4-chloro-1H-pyrazole-5-carbaldehyde, 4-Chloro-1H-pyrazole-3-carboxaldehyde, 4-chloropyrazole-5-carbaldehyde, chloropyrazolealdehyde, 1H-Pyrazole-3-carboxaldehyde, 4-chloro-, AC1MC40B, SCHEMBL569128, 4-Chloro-3-formyl-1H-pyrazole, CTK5B4947, DTXSID00375487, JCXMSYLXHJLALJ-UHFFFAOYSA-N, KS-000029UU, ZINC1494998, ANW-56049, MFCD00110641, SBB027092, STL414701, 4-Chloro-2H-pyrazole-3-carbaldehyde, AKOS005168992, AKOS015848964, 4-chloro-1H-pyrazole-5-carboxaldehyde, 4-chloro-3-formylpyrazole, AldrichCPR, MCULE-4445625133, PS-3057, RP00946, 4-chloranyl-1H-pyrazole-5-carbaldehyde, AJ-26376, DB-073104, TR-037317, FT-0645262, ST45136258, Y9646, C-4496, A824262, J-514882, I14-28385, C4H3ClN2O, ZINC01494998, CID2761026, 387358-45-4,

Complexity	98
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.993g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.531g/mol
Monoisotopic Mass	129.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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