AG007X9S

1007-99-4 | 2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine

AG007X9S

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CAS Number	1007-99-4
Catalog Number	AG007X9S(AGN-PC-0JOJG9)
Chemical Name	2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine
IUPAC Name	2-amino-4-chloro-5-nitro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H3ClN4O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H3,6,7,8,10)
InChI Key	UTTPUMOOQSNOHH-UHFFFAOYSA-N
MDL Number	MFCD07367841
Molecular Formula	C4H3ClN4O3
Molecular Weight	190.5446
NSC Number	60046
SMILES	O=C1N=C(N)NC(Cl)=C1[N+]([O-])=O
Synonyms	1007-99-4, 2-Amino-4-chloro-6-hydroxy-5-nitropyrimidine, 2-amino-6-chloro-5-nitropyrimidin-4-ol, 2-Amino-4-chloro-5-nitro-6-hydroxypyrimidine, 2-amino-6-chloro-5-nitro-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-amino-6-chloro-5-nitro-, 2-AMINO-6-CHLORO-5-NITRO-4(3H)-PYRIMIDINONE, NSC60046, PubChem16156, AC1L6ILW, C4H3ClN4O3, 2-Amino-6-chloro-5-nitro-4(1H)-pyrimidinone, AC1Q5A9H, SCHEMBL536689, SCHEMBL9983171, CTK3J9263, CTK5I1956, KS-00001BRT, DTXSID80289270, UTTPUMOOQSNOHH-UHFFFAOYSA-N, EBD39223, ANW-60035, CA-833, MFCD07367841, NSC-60046, SBB065706, ZINC15021789, AKOS000281179, AKOS006308746, AN-3062, CS-W000783, QC-9433, RP25015, 2-amino-6-chloro-5-nitro-4-pyrimidinol, AC-23741, AJ-67062, AK-24864, BC207055, HC210333, SC-89414, AB0037611, TC-148780, 4CH-001399, AM20080636, FT-0650433, ST24039925, Y4905, 2-amino-4-hydroxy-5-nitro-6-chloropyrimidine, 2-Amino-6-chloro-4-hydroxy-5-nitropyrimidine, 2-amino-6-chloro-5-nitro-3H-pyrimidin-4-one, 2-Amino-5-nitro-6-chloropyrimidine-4(3H)-one, 4(1H)-Pyrimidinone,2-amino-6-chloro-5-nitro-, 007A994, I03-0247, W-200633, 2-amino-6-chloro-5-nitro-1,4-dihydropyrimidin-4-one, AR-1D8604, CID246678, GS-5759, 2-amino-6-chloro-5-nitropyrimidin-4(3H)-one, 2-amino-6-chloro-5-nitropyrimidin-4(5H)-one, 109214-55-3,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.989g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.543g/mol
Monoisotopic Mass	189.989g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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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