AG003E52

626-88-0 | 1-Bromo-4-methylpentane

AG003E52

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CAS Number	626-88-0
Catalog Number	AG003E52(AGN-PC-0JL8ZM)
Chemical Name	1-Bromo-4-methylpentane
EC Number	210-968-8
IUPAC Name	1-bromo-4-methylpentane
InChI	InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
InChI Key	XZKFBZOAIGFZSU-UHFFFAOYSA-N
MDL Number	MFCD00013544
Molecular Formula	C6H13Br
Molecular Weight	165.0714
NSC Number	159166
SMILES	CC(C)CCCBr
Synonyms	1-Bromo-4-methylpentane, 626-88-0, 4-Methylpentyl bromide, Pentane, 1-bromo-4-methyl-, 1-bromo-4-methyl-pentane, 1-BROMO-4-METHYL PENTANE, XZKFBZOAIGFZSU-UHFFFAOYSA-N, 1-brom-4-methylpentan, EINECS 210-968-8, NSC159166, NSC 159166, AC1L2BQZ, AC1Q1PBR, ACMC-1B0II, AC1Q27TZ, SCHEMBL388997, Br(CH2)3CH(CH3)2, DTXSID8060826, 1-Bromo-4-methylpentane, 97%, CTK3J4139, KS-000016HN, ZINC1610369, ANW-34331, MFCD00013544, AKOS009156804, NSC-159166, AJ-28222, AN-46874, AS-49981, BC219799, CJ-26030, AB1008376, DB-054246, RT-001892, TL8004235, FT-0607509, 626B880, I14-6192, InChI=1/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H, null, C(CCBr)C(C)C, C6-H13-Br, CID69385, AR-1C1909, B1017, 63765-98-0,

Complexity	33.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.02g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.074g/mol
Monoisotopic Mass	164.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H319-H411
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number