AG00372F

56181-39-6 | 4-Chloro-5-bromopyrimidine

AG00372F

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CAS Number	56181-39-6
Catalog Number	AG00372F(AGN-PC-0NIB1F)
Chemical Name	4-Chloro-5-bromopyrimidine
IUPAC Name	5-bromo-4-chloropyrimidine
InChI	InChI=1S/C4H2BrClN2/c5-3-1-7-2-8-4(3)6/h1-2H
InChI Key	WTVLUSWQWGHYIS-UHFFFAOYSA-N
MDL Number	MFCD09750158
Molecular Formula	C4H2BrClN2
Molecular Weight	193.4291
SMILES	ClC1=NC=NC=C1Br
Synonyms	5-Bromo-4-chloropyrimidine, 56181-39-6, 4-Chloro-5-bromopyrimidine, 5-BROMO-4-CHLORO-PYRIMIDINE, PYRIMIDINE, 5-BROMO-4-CHLORO-, AC1Q3HEQ, 6-chloro-5-bromopyrimidine, Pyrimidine,5-bromo-4-chloro-, SCHEMBL1344036, CTK5A4751, DTXSID30483342, WTVLUSWQWGHYIS-UHFFFAOYSA-N, BCP26811, KS-000003DB, ANW-49268, MFCD09750158, ZINC37594119, AKOS005259401, CS-W003637, GS-5827, HP21370, PB14722, QC-5595, RP08169, AJ-94116, AK-47095, BR-47095, CJ-19069, HC210418, SC-68424, SY023357, AB0030815, AB1007344, DB-003959, ST2418673, TR-019745, 4CH-001410, AM20100383, FT-0684790, X3070, EN300-69992, MFCD09750158 (95%), A15650, C-8693, 4-CHLORO-BENZENSULFONIC BUT-3-YNYL ESTER, J-515046, Z1741977438, C4H2BrClN2, ACN-044997, 32014-70-3,

Complexity	80.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.909g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.428g/mol
Monoisotopic Mass	191.909g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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