AG00C00F

401647-24-3 | 1-Benzyl-1H-pyrazole-4-carboxylic acid

AG00C00F

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CAS Number	401647-24-3
Catalog Number	AG00C00F(AGN-PC-0LU53G)
Chemical Name	1-Benzyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1-benzylpyrazole-4-carboxylic acid
InChI	InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
InChI Key	KGDOHXYALMXHLF-UHFFFAOYSA-N
MDL Number	MFCD05864591
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	OC(=O)C1=CN(CC2=CC=CC=C2)N=C1
Synonyms	1-Benzyl-1H-pyrazole-4-carboxylic acid, 401647-24-3, 1-benzylpyrazole-4-carboxylic acid, BAS 08766589, ACMC-209jbg, AC1O5GKV, SCHEMBL553830, AC1Q73X1, CTK4I2584, DTXSID80424341, KGDOHXYALMXHLF-UHFFFAOYSA-N, ALBB-000150, KS-00003H5S, ZINC2559736, 1-Benzyl pyrazole 4-carboxylic acid, 5356AB, ANW-29306, BBL016269, MFCD05864591, SBB009665, STK350146, AKOS000206940, AS-5724, MCULE-7888870054, RTR-016033, AJ-40345, BP-11209, AB0003870, AB1008768, DB-028272, TR-016033, AM20040405, BB 0240598, CS-0060527, FT-0677684, FT-0701350, ST45134341, EN300-14396, B65648, K-8589, 1H-Pyrazole-4-carboxylic acid, 1-(phenylmethyl)-, 864B591, 1-Benzyl-1H-pyrazole-4-carboxylic acid, AldrichCPR, null, C11H10N2O2, CID6483876, (2-amino-4-chloro-6-methylphenyl)amine,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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