AG00391P

706811-25-8 | 5-(4-bromophenyl)pyrimidine-4,6 diol

AG00391P

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CAS Number	706811-25-8
Catalog Number	AG00391P(AGN-PC-0OGXC0)
Chemical Name	5-(4-bromophenyl)pyrimidine-4,6 diol
EC Number	814-997-2
IUPAC Name	5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
InChI	InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
InChI Key	PIUMVXYVNAISNG-UHFFFAOYSA-N
MDL Number	MFCD28044068
Molecular Formula	C10H7BrN2O2
Molecular Weight	267.0788
SMILES	BrC1=CC=C(C=C1)C=1C(=NC=NC1O)O
Synonyms	706811-25-8, 5-(4-bromophenyl)-6-hydroxypyrimidin-4(1H)-one, 5-(4-bromophenyl)pyrimidine-4,6-diol, 4(1H)-Pyrimidinone, 5-(4-bromophenyl)-6-hydroxy-, 5-(4-bromophenyl)-pyrimidine-4,6-diol, 5-(4-Bromophenyl)-4,6-pyrimidinediol, AK322429, SCHEMBL1001064, KS-00000SOP, PIUMVXYVNAISNG-UHFFFAOYSA-N, MFCD21649133, ZINC84193530, AKOS017560637, AKOS027326807, 5-(4-bromophenyl)pyrimidine-4,6 diol, DS-12024, 5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one, 4(1H)-Pyrimidinone, 5-(4-bromophenyl)-6-hydroxy, ACN-036800, CS-O-14734, 5-(4-bromophenyl)-6-hydroxypyrimidin-4(3H)-one, 5-(4-broMophenyl)-6-hydroxy- 4(1H)-PyriMidinone,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.969g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	267.082g/mol
Monoisotopic Mass	265.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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